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You searched for subject:(QSAR). Showing records 1 – 30 of 234 total matches.

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Universidade Estadual de Campinas

1. Martins, João Paulo Ataíde, 1980-. Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies.

Degree: 2013, Universidade Estadual de Campinas

 Abstract: Computer aided drug design is an important research field in chemistry and related areas. The available tools used in such studies involve software to… (more)

Subjects/Keywords: QSAR; PLS; OPS; LQTA-QSAR; QSAR modeling; QSAR; PLS; OPS; LQTA-QSAR; LQTA-QSAR

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APA (6th Edition):

Martins, João Paulo Ataíde, 1. (2013). Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies. (Thesis). Universidade Estadual de Campinas. Retrieved from http://repositorio.unicamp.br/jspui/handle/REPOSIP/248544

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Martins, João Paulo Ataíde, 1980-. “Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies.” 2013. Thesis, Universidade Estadual de Campinas. Accessed March 03, 2021. http://repositorio.unicamp.br/jspui/handle/REPOSIP/248544.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Martins, João Paulo Ataíde, 1980-. “Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies.” 2013. Web. 03 Mar 2021.

Vancouver:

Martins, João Paulo Ataíde 1. Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies. [Internet] [Thesis]. Universidade Estadual de Campinas; 2013. [cited 2021 Mar 03]. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/248544.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Martins, João Paulo Ataíde 1. Desenvolvimento de softwares, algoritmos e diferentes abordagens quimiométricas em estudos de QSAR: Development of softwares, algorithms and different chemometric aproaches in QSAR studies. [Thesis]. Universidade Estadual de Campinas; 2013. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/248544

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Universidade Estadual de Campinas

2. Pereira, Flávia da Silva, 1976-. Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity.

Degree: 2016, Universidade Estadual de Campinas

 Abstract: Malaria is a parasitic disease, considered to be neglected and that since from antiquity, causes social and economic problems in the world. Artemisinin and… (more)

Subjects/Keywords: Artemisinina; Quimiometria; QSAR-2D; QSAR-4D; QSAR-2D; QSAR-4D; Artemisinin; Chemometric; QSAR-2D; QSAR-4D; QSAR-4D

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APA (6th Edition):

Pereira, Flávia da Silva, 1. (2016). Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity. (Thesis). Universidade Estadual de Campinas. Retrieved from http://repositorio.unicamp.br/jspui/handle/REPOSIP/321466

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Pereira, Flávia da Silva, 1976-. “Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity.” 2016. Thesis, Universidade Estadual de Campinas. Accessed March 03, 2021. http://repositorio.unicamp.br/jspui/handle/REPOSIP/321466.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Pereira, Flávia da Silva, 1976-. “Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity.” 2016. Web. 03 Mar 2021.

Vancouver:

Pereira, Flávia da Silva 1. Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity. [Internet] [Thesis]. Universidade Estadual de Campinas; 2016. [cited 2021 Mar 03]. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/321466.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Pereira, Flávia da Silva 1. Estudo QSAR da artemisinina e derivados com atividade antimalárica: QSAR study of artemisinin and derivatives with antimalarial activity. [Thesis]. Universidade Estadual de Campinas; 2016. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/321466

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Universidade do Rio Grande do Norte

3. Braz, Carolina Arruda. Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica .

Degree: 2016, Universidade do Rio Grande do Norte

 Strategies for drug design aided by computer uses of computational techniques for guidance on the discovery of new drugs. Saving costs and speeding the process… (more)

Subjects/Keywords: Malaria; lqta-qsar; Plasmpsin II; 4D QSAR

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APA (6th Edition):

Braz, C. A. (2016). Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica . (Masters Thesis). Universidade do Rio Grande do Norte. Retrieved from http://repositorio.ufrn.br/handle/123456789/23145

Chicago Manual of Style (16th Edition):

Braz, Carolina Arruda. “Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica .” 2016. Masters Thesis, Universidade do Rio Grande do Norte. Accessed March 03, 2021. http://repositorio.ufrn.br/handle/123456789/23145.

MLA Handbook (7th Edition):

Braz, Carolina Arruda. “Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica .” 2016. Web. 03 Mar 2021.

Vancouver:

Braz CA. Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica . [Internet] [Masters thesis]. Universidade do Rio Grande do Norte; 2016. [cited 2021 Mar 03]. Available from: http://repositorio.ufrn.br/handle/123456789/23145.

Council of Science Editors:

Braz CA. Prospecção in silico de compostos bioativos contra malária utilizando modelos de previsão de atividade biológica . [Masters Thesis]. Universidade do Rio Grande do Norte; 2016. Available from: http://repositorio.ufrn.br/handle/123456789/23145


Vanderbilt University

4. Sliwoski, Gregory Richard. 3D enantioselective descriptors for ligand-based computer-aided drug design.

Degree: MS, Interdisciplinary Studies: Interdisciplinary Pharmacology, 2012, Vanderbilt University

 A novel three dimensional stereoselective descriptor for use in ligand-based computer-aided drug design (CADD) is presented in this thesis. CADD is an important tool for… (more)

Subjects/Keywords: CADD; Stereochemistry; QSAR

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APA (6th Edition):

Sliwoski, G. R. (2012). 3D enantioselective descriptors for ligand-based computer-aided drug design. (Thesis). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/13243

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Sliwoski, Gregory Richard. “3D enantioselective descriptors for ligand-based computer-aided drug design.” 2012. Thesis, Vanderbilt University. Accessed March 03, 2021. http://hdl.handle.net/1803/13243.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Sliwoski, Gregory Richard. “3D enantioselective descriptors for ligand-based computer-aided drug design.” 2012. Web. 03 Mar 2021.

Vancouver:

Sliwoski GR. 3D enantioselective descriptors for ligand-based computer-aided drug design. [Internet] [Thesis]. Vanderbilt University; 2012. [cited 2021 Mar 03]. Available from: http://hdl.handle.net/1803/13243.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Sliwoski GR. 3D enantioselective descriptors for ligand-based computer-aided drug design. [Thesis]. Vanderbilt University; 2012. Available from: http://hdl.handle.net/1803/13243

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


University of Namibia

5. Ishola, Anthony. Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae .

Degree: 2020, University of Namibia

 The objective of this research was to discover new drug leads from Namibian marine algae. Plocamium extracts were screened and their phytochemical contents were quantified.… (more)

Subjects/Keywords: Qsar studies; Algae

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APA (6th Edition):

Ishola, A. (2020). Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae . (Thesis). University of Namibia. Retrieved from http://hdl.handle.net/11070/2709

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Ishola, Anthony. “Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae .” 2020. Thesis, University of Namibia. Accessed March 03, 2021. http://hdl.handle.net/11070/2709.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Ishola, Anthony. “Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae .” 2020. Web. 03 Mar 2021.

Vancouver:

Ishola A. Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae . [Internet] [Thesis]. University of Namibia; 2020. [cited 2021 Mar 03]. Available from: http://hdl.handle.net/11070/2709.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Ishola A. Characterisation, bioactivity and qsar studies of natural products from selected Namibian red marine algae . [Thesis]. University of Namibia; 2020. Available from: http://hdl.handle.net/11070/2709

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

6. SILVA, Aluizio Galdino da. Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas .

Degree: 2010, Universidade Federal de Pernambuco

 Neste trabalho apresentamos um estudo teórico das relações quantitativas estrutura-atividade (QSAR) com treze derivados de 2-fenilindan-1,3-dionas possuindo atividade hipolipidêmica. Para estabelecer essas relações, nós usamos… (more)

Subjects/Keywords: Atividade hipolipidêmica; QSAR; Análise multivariada

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APA (6th Edition):

SILVA, A. G. d. (2010). Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas . (Thesis). Universidade Federal de Pernambuco. Retrieved from http://repositorio.ufpe.br/handle/123456789/8501

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

SILVA, Aluizio Galdino da. “Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas .” 2010. Thesis, Universidade Federal de Pernambuco. Accessed March 03, 2021. http://repositorio.ufpe.br/handle/123456789/8501.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

SILVA, Aluizio Galdino da. “Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas .” 2010. Web. 03 Mar 2021.

Vancouver:

SILVA AGd. Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas . [Internet] [Thesis]. Universidade Federal de Pernambuco; 2010. [cited 2021 Mar 03]. Available from: http://repositorio.ufpe.br/handle/123456789/8501.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

SILVA AGd. Um estudo teórico das relações quantitativas estrutura-atividade em derivados de 2-Fenilindan-1,3-dionas . [Thesis]. Universidade Federal de Pernambuco; 2010. Available from: http://repositorio.ufpe.br/handle/123456789/8501

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

7. Weber, Karen Cacilda. Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A.

Degree: PhD, Físico-Química, 2008, University of São Paulo

Os inibidores seletivos da recaptação de serotonina (ISRSs) representam a classe mais importante de antidepressivos em uso clínico atualmente. Entretanto, esses medicamentos costumam levar de… (more)

Subjects/Keywords: 2D QSAR; 3D QSAR; 5-HT1A receptor; arilpiperazinas; arylpiperazines; homology modeling; modelagem por homologia; QSAR 2D; QSAR 3D; recepto 5-HT1A

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APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6th Edition):

Weber, K. C. (2008). Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75131/tde-05122008-165529/ ;

Chicago Manual of Style (16th Edition):

Weber, Karen Cacilda. “Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A.” 2008. Doctoral Dissertation, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/75/75131/tde-05122008-165529/ ;.

MLA Handbook (7th Edition):

Weber, Karen Cacilda. “Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A.” 2008. Web. 03 Mar 2021.

Vancouver:

Weber KC. Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A. [Internet] [Doctoral dissertation]. University of São Paulo; 2008. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75131/tde-05122008-165529/ ;.

Council of Science Editors:

Weber KC. Modelagem molecular de compostos arilpiperazínicos e suas interações com o receptor 5-HT1A. [Doctoral Dissertation]. University of São Paulo; 2008. Available from: http://www.teses.usp.br/teses/disponiveis/75/75131/tde-05122008-165529/ ;


Universidade Estadual de Campinas

8. Barbosa, Euzébio Guimarães. Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors.

Degree: 2011, Universidade Estadual de Campinas

 Abstract: The New Receptor-Dependent LQTA-QSAR approach is proposed as a new 4D-QSAR method. The RD-LQTA-QSAR is an evolution to the receptor independent LQTA-QSAR. This approach… (more)

Subjects/Keywords: QSAR-4D; Descritores de campo de interação; Chagas, Doença de; LQTA-QSAR; 4D-QSAR; Interaction fields descriptors; Chagas' disease; LQTA-QSAR

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APA (6th Edition):

Barbosa, E. G. (2011). Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors. (Thesis). Universidade Estadual de Campinas. Retrieved from http://repositorio.unicamp.br/jspui/handle/REPOSIP/248547

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Barbosa, Euzébio Guimarães. “Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors.” 2011. Thesis, Universidade Estadual de Campinas. Accessed March 03, 2021. http://repositorio.unicamp.br/jspui/handle/REPOSIP/248547.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Barbosa, Euzébio Guimarães. “Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors.” 2011. Web. 03 Mar 2021.

Vancouver:

Barbosa EG. Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors. [Internet] [Thesis]. Universidade Estadual de Campinas; 2011. [cited 2021 Mar 03]. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/248547.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Barbosa EG. Ferramentas para QSAR-4D dependente de receptores = aplicação em uma série de inibidores da tripanotiona redutase do T. cruzi: Tool for receptor dependent 4D-QSAR applied to set of T. cruzi trypanothione reductase inhibitors. [Thesis]. Universidade Estadual de Campinas; 2011. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/248547

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation


Vanderbilt University

9. Butkiewicz, Mariusz. Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design.

Degree: PhD, Chemistry, 2014, Vanderbilt University

 Quantitative structure activity relationship (QSAR) modeling using high-throughput screening (HTS) data enables the development of predictive models for in silico screening. A cheminformatics framework termed… (more)

Subjects/Keywords: computer-aided drug design; QSAR

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APA (6th Edition):

Butkiewicz, M. (2014). Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design. (Doctoral Dissertation). Vanderbilt University. Retrieved from http://hdl.handle.net/1803/13619

Chicago Manual of Style (16th Edition):

Butkiewicz, Mariusz. “Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design.” 2014. Doctoral Dissertation, Vanderbilt University. Accessed March 03, 2021. http://hdl.handle.net/1803/13619.

MLA Handbook (7th Edition):

Butkiewicz, Mariusz. “Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design.” 2014. Web. 03 Mar 2021.

Vancouver:

Butkiewicz M. Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design. [Internet] [Doctoral dissertation]. Vanderbilt University; 2014. [cited 2021 Mar 03]. Available from: http://hdl.handle.net/1803/13619.

Council of Science Editors:

Butkiewicz M. Advancing Quantitative Structure Activity Relationship Strategies in Ligand-Based Computer-Aided Drug Design. [Doctoral Dissertation]. Vanderbilt University; 2014. Available from: http://hdl.handle.net/1803/13619


University of Cambridge

10. Marchese Robinson, Richard Liam. Computational approaches to predicting drug induced toxicity.

Degree: PhD, 2013, University of Cambridge

 Novel approaches and models for predicting drug induced toxicity in silico are presented. Typically, these were based on Quantitative Structure-Activity Relationships (QSAR). The following endpoints… (more)

Subjects/Keywords: Cheminformatics; Toxicology; Machine learning; QSAR

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APA (6th Edition):

Marchese Robinson, R. L. (2013). Computational approaches to predicting drug induced toxicity. (Doctoral Dissertation). University of Cambridge. Retrieved from http://www.dspace.cam.ac.uk/handle/1810/244242https://www.repository.cam.ac.uk/bitstream/1810/244242/4/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/5/license_url ; https://www.repository.cam.ac.uk/bitstream/1810/244242/6/license_text ; https://www.repository.cam.ac.uk/bitstream/1810/244242/7/license_rdf ; https://www.repository.cam.ac.uk/bitstream/1810/244242/12/Thesis_v140.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/14/README.txt.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/15/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/13/Thesis_v140.pdf.jpg ; https://www.repository.cam.ac.uk/bitstream/1810/244242/16/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.jpg

Chicago Manual of Style (16th Edition):

Marchese Robinson, Richard Liam. “Computational approaches to predicting drug induced toxicity.” 2013. Doctoral Dissertation, University of Cambridge. Accessed March 03, 2021. http://www.dspace.cam.ac.uk/handle/1810/244242https://www.repository.cam.ac.uk/bitstream/1810/244242/4/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/5/license_url ; https://www.repository.cam.ac.uk/bitstream/1810/244242/6/license_text ; https://www.repository.cam.ac.uk/bitstream/1810/244242/7/license_rdf ; https://www.repository.cam.ac.uk/bitstream/1810/244242/12/Thesis_v140.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/14/README.txt.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/15/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/13/Thesis_v140.pdf.jpg ; https://www.repository.cam.ac.uk/bitstream/1810/244242/16/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.jpg.

MLA Handbook (7th Edition):

Marchese Robinson, Richard Liam. “Computational approaches to predicting drug induced toxicity.” 2013. Web. 03 Mar 2021.

Vancouver:

Marchese Robinson RL. Computational approaches to predicting drug induced toxicity. [Internet] [Doctoral dissertation]. University of Cambridge; 2013. [cited 2021 Mar 03]. Available from: http://www.dspace.cam.ac.uk/handle/1810/244242https://www.repository.cam.ac.uk/bitstream/1810/244242/4/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/5/license_url ; https://www.repository.cam.ac.uk/bitstream/1810/244242/6/license_text ; https://www.repository.cam.ac.uk/bitstream/1810/244242/7/license_rdf ; https://www.repository.cam.ac.uk/bitstream/1810/244242/12/Thesis_v140.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/14/README.txt.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/15/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/13/Thesis_v140.pdf.jpg ; https://www.repository.cam.ac.uk/bitstream/1810/244242/16/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.jpg.

Council of Science Editors:

Marchese Robinson RL. Computational approaches to predicting drug induced toxicity. [Doctoral Dissertation]. University of Cambridge; 2013. Available from: http://www.dspace.cam.ac.uk/handle/1810/244242https://www.repository.cam.ac.uk/bitstream/1810/244242/4/license.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/5/license_url ; https://www.repository.cam.ac.uk/bitstream/1810/244242/6/license_text ; https://www.repository.cam.ac.uk/bitstream/1810/244242/7/license_rdf ; https://www.repository.cam.ac.uk/bitstream/1810/244242/12/Thesis_v140.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/14/README.txt.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/15/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.txt ; https://www.repository.cam.ac.uk/bitstream/1810/244242/13/Thesis_v140.pdf.jpg ; https://www.repository.cam.ac.uk/bitstream/1810/244242/16/MarcheseRobinson_2015_PhD_ErrorsClarifications.pdf.jpg


Purdue University

11. Wilson, Gregory Lee. Development and Application of Pseudoreceptor Modeling.

Degree: PhD, Medicinal Chemistry and Molecular Pharmacology, 2015, Purdue University

 Quantitative Structure-Activity Relationship (QSAR) methods are a commonly used tool in the drug discovery process. These methods attempt to form a statistical model that relates… (more)

Subjects/Keywords: Cytochrome; Metabolism; Pseudoreceptor; QSAR; SoM

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APA (6th Edition):

Wilson, G. L. (2015). Development and Application of Pseudoreceptor Modeling. (Doctoral Dissertation). Purdue University. Retrieved from https://docs.lib.purdue.edu/open_access_dissertations/1435

Chicago Manual of Style (16th Edition):

Wilson, Gregory Lee. “Development and Application of Pseudoreceptor Modeling.” 2015. Doctoral Dissertation, Purdue University. Accessed March 03, 2021. https://docs.lib.purdue.edu/open_access_dissertations/1435.

MLA Handbook (7th Edition):

Wilson, Gregory Lee. “Development and Application of Pseudoreceptor Modeling.” 2015. Web. 03 Mar 2021.

Vancouver:

Wilson GL. Development and Application of Pseudoreceptor Modeling. [Internet] [Doctoral dissertation]. Purdue University; 2015. [cited 2021 Mar 03]. Available from: https://docs.lib.purdue.edu/open_access_dissertations/1435.

Council of Science Editors:

Wilson GL. Development and Application of Pseudoreceptor Modeling. [Doctoral Dissertation]. Purdue University; 2015. Available from: https://docs.lib.purdue.edu/open_access_dissertations/1435


Rutgers University

12. Ribay, Kathryn, 1984-. Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data.

Degree: MS, Chemistry, 2016, Rutgers University

 Estrogen receptor-α (ERα) is a critical target for drug design as well as a potential source of toxicity when activated unintentionally. Thus, evaluating potential ERα… (more)

Subjects/Keywords: QSAR (Biochemistry); Estrogen – Receptors

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APA (6th Edition):

Ribay, Kathryn, 1. (2016). Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/49078/

Chicago Manual of Style (16th Edition):

Ribay, Kathryn, 1984-. “Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data.” 2016. Masters Thesis, Rutgers University. Accessed March 03, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/49078/.

MLA Handbook (7th Edition):

Ribay, Kathryn, 1984-. “Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data.” 2016. Web. 03 Mar 2021.

Vancouver:

Ribay, Kathryn 1. Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data. [Internet] [Masters thesis]. Rutgers University; 2016. [cited 2021 Mar 03]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49078/.

Council of Science Editors:

Ribay, Kathryn 1. Hybrid modeling of estrogen receptor binding agents using advanced cheminformatics tools and massive public data. [Masters Thesis]. Rutgers University; 2016. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49078/


Rutgers University

13. Russo, Daniel P., 1984-. Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists.

Degree: MS, Biology, 2014, Rutgers University

 The serotonin type-6 receptor (5-HT6) is a drug target for psychotic diseases, especially cognitive disorders. The traditional method to design novel 5-HT6 binding agents (e.g.… (more)

Subjects/Keywords: QSAR (Biochemistry); Serotonin – Antagonists

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APA (6th Edition):

Russo, Daniel P., 1. (2014). Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/43553/

Chicago Manual of Style (16th Edition):

Russo, Daniel P., 1984-. “Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists.” 2014. Masters Thesis, Rutgers University. Accessed March 03, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/43553/.

MLA Handbook (7th Edition):

Russo, Daniel P., 1984-. “Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists.” 2014. Web. 03 Mar 2021.

Vancouver:

Russo, Daniel P. 1. Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists. [Internet] [Masters thesis]. Rutgers University; 2014. [cited 2021 Mar 03]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/43553/.

Council of Science Editors:

Russo, Daniel P. 1. Quantitative structure activity relationship modeling of serotonin type-6 receptor antagonists. [Masters Thesis]. Rutgers University; 2014. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/43553/


Rutgers University

14. Pinolini, Daniel C., 1990-. Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition.

Degree: MS, Computational and Integrative Biology, 2015, Rutgers University

 Human Cytochrome P4502C9 is a vital enzyme in human drug metabolism. Inhibition of P450 2C9 can cause critical Drug Drug Interactions (DDI). Great resources can… (more)

Subjects/Keywords: QSAR (Biochemistry); Cytochrome P-450

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APA (6th Edition):

Pinolini, Daniel C., 1. (2015). Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition. (Masters Thesis). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/48158/

Chicago Manual of Style (16th Edition):

Pinolini, Daniel C., 1990-. “Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition.” 2015. Masters Thesis, Rutgers University. Accessed March 03, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/48158/.

MLA Handbook (7th Edition):

Pinolini, Daniel C., 1990-. “Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition.” 2015. Web. 03 Mar 2021.

Vancouver:

Pinolini, Daniel C. 1. Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition. [Internet] [Masters thesis]. Rutgers University; 2015. [cited 2021 Mar 03]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/48158/.

Council of Science Editors:

Pinolini, Daniel C. 1. Hybrid structure-activity relationship modeling of human cytochrome P450 isoform 2C9 inhibition. [Masters Thesis]. Rutgers University; 2015. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/48158/


Rutgers University

15. Kim, Marlene T., 1987-. Developing advanced rules and tools to improve in vivo QSAR models.

Degree: PhD, Computational and Integrative Biology, 2016, Rutgers University

Together oral bioavailability and hepatotoxicity determine the fate and failure of a new drug in clinical trials. A promising drug candidate that has little to… (more)

Subjects/Keywords: QSAR (Biochemistry); Clinical trials

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APA (6th Edition):

Kim, Marlene T., 1. (2016). Developing advanced rules and tools to improve in vivo QSAR models. (Doctoral Dissertation). Rutgers University. Retrieved from https://rucore.libraries.rutgers.edu/rutgers-lib/49807/

Chicago Manual of Style (16th Edition):

Kim, Marlene T., 1987-. “Developing advanced rules and tools to improve in vivo QSAR models.” 2016. Doctoral Dissertation, Rutgers University. Accessed March 03, 2021. https://rucore.libraries.rutgers.edu/rutgers-lib/49807/.

MLA Handbook (7th Edition):

Kim, Marlene T., 1987-. “Developing advanced rules and tools to improve in vivo QSAR models.” 2016. Web. 03 Mar 2021.

Vancouver:

Kim, Marlene T. 1. Developing advanced rules and tools to improve in vivo QSAR models. [Internet] [Doctoral dissertation]. Rutgers University; 2016. [cited 2021 Mar 03]. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49807/.

Council of Science Editors:

Kim, Marlene T. 1. Developing advanced rules and tools to improve in vivo QSAR models. [Doctoral Dissertation]. Rutgers University; 2016. Available from: https://rucore.libraries.rutgers.edu/rutgers-lib/49807/

16. Ruggiu, Fiorella. Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif.

Degree: Docteur es, Chimie informatique et théorique, 2014, Université de Strasbourg

Les descripteurs ISIDA enrichis par propriété ont été introduit pour encoder les structures moléculaires en chémoinformatique en tant que nombre d’occurrence de sous-graphes moléculaires spécifiques… (more)

Subjects/Keywords: QSAR; Descripteurs moléculaires; Chémoinformatique; QSAR; Molecular descriptors; Chemoinformatics; 543

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APA (6th Edition):

Ruggiu, F. (2014). Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif. (Doctoral Dissertation). Université de Strasbourg. Retrieved from http://www.theses.fr/2014STRAF037

Chicago Manual of Style (16th Edition):

Ruggiu, Fiorella. “Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif.” 2014. Doctoral Dissertation, Université de Strasbourg. Accessed March 03, 2021. http://www.theses.fr/2014STRAF037.

MLA Handbook (7th Edition):

Ruggiu, Fiorella. “Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif.” 2014. Web. 03 Mar 2021.

Vancouver:

Ruggiu F. Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif. [Internet] [Doctoral dissertation]. Université de Strasbourg; 2014. [cited 2021 Mar 03]. Available from: http://www.theses.fr/2014STRAF037.

Council of Science Editors:

Ruggiu F. Property-enriched fragment descriptors for adaptive QSAR : Descripteurs fragmentaux enrichis par propriété pour QSAR adaptatif. [Doctoral Dissertation]. Université de Strasbourg; 2014. Available from: http://www.theses.fr/2014STRAF037

17. Pereira, Estevão Bombonato. Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo.

Degree: Mestrado, Físico-Química, 2014, University of São Paulo

O câncer é uma doença que aflige pessoas no mundo todo, e mata muitas todos os anos. Muitos estudos são desenvolvidos para sintetizar novos compostos… (more)

Subjects/Keywords: β -carbolin; β -carbolina; chemometrics; QSAR; QSAR; quimiometria

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APA (6th Edition):

Pereira, E. B. (2014). Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75134/tde-09062014-162046/ ;

Chicago Manual of Style (16th Edition):

Pereira, Estevão Bombonato. “Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo.” 2014. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/75/75134/tde-09062014-162046/ ;.

MLA Handbook (7th Edition):

Pereira, Estevão Bombonato. “Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo.” 2014. Web. 03 Mar 2021.

Vancouver:

Pereira EB. Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo. [Internet] [Masters thesis]. University of São Paulo; 2014. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-09062014-162046/ ;.

Council of Science Editors:

Pereira EB. Estudo da relação quantitativa estrutura-atividade de compostos β-carbolínicos, substituídos nas posições 1 e 3, utilizados no tratamento de câncer de pulmão e melanoma cutâneo. [Masters Thesis]. University of São Paulo; 2014. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-09062014-162046/ ;

18. Silva, Aldineia Pereira da. Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol.

Degree: Mestrado, Físico-Química, 2014, University of São Paulo

A esquizofrenia é uma doença que, de acordo com a Organização Mundial de Saúde, acomete cerca de 1% da população mundial. Tendo em vista a… (more)

Subjects/Keywords: ANN; ANN; aripiprazol; aripiprazole; esquizofrenia; PLS; PLS; QSAR; QSAR; schizophrenia

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APA (6th Edition):

Silva, A. P. d. (2014). Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75134/tde-03072014-163248/ ;

Chicago Manual of Style (16th Edition):

Silva, Aldineia Pereira da. “Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol.” 2014. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/75/75134/tde-03072014-163248/ ;.

MLA Handbook (7th Edition):

Silva, Aldineia Pereira da. “Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol.” 2014. Web. 03 Mar 2021.

Vancouver:

Silva APd. Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol. [Internet] [Masters thesis]. University of São Paulo; 2014. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-03072014-163248/ ;.

Council of Science Editors:

Silva APd. Estudo da relação estrutura-atividade de compostos biologicamente ativos derivados do aripiprazol. [Masters Thesis]. University of São Paulo; 2014. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-03072014-163248/ ;

19. Nagurniak, Gláucio Regis. Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide.

Degree: Mestrado, Físico-Química, 2013, University of São Paulo

Desde os tempos antigos, o leite de papoula é usado como sedativo e poderoso analgésico. Hoje, na terapêutica, a morfina - a qual se encontra… (more)

Subjects/Keywords: µ; -opiate; µ; -opióide; modelagem molecular; molecular modeling; QSAR; QSAR

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APA (6th Edition):

Nagurniak, G. R. (2013). Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75134/tde-30072013-093119/ ;

Chicago Manual of Style (16th Edition):

Nagurniak, Gláucio Regis. “Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide.” 2013. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/75/75134/tde-30072013-093119/ ;.

MLA Handbook (7th Edition):

Nagurniak, Gláucio Regis. “Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide.” 2013. Web. 03 Mar 2021.

Vancouver:

Nagurniak GR. Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide. [Internet] [Masters thesis]. University of São Paulo; 2013. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-30072013-093119/ ;.

Council of Science Editors:

Nagurniak GR. Análise da relação entre a estrutura química e a atividade biológica de antagonistas moleculares do receptor μ-opióide. [Masters Thesis]. University of São Paulo; 2013. Available from: http://www.teses.usp.br/teses/disponiveis/75/75134/tde-30072013-093119/ ;


Universidade Estadual de Campinas

20. Cramer, Bruno. Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines.

Degree: 2011, Universidade Estadual de Campinas

 Abstract: The thesis was organized in the form of five 2D-QSAR case studies using compounds from literature. Clerodan diterpenoids and N, N¿-dibenzoy-N-tbutylhydrazines (DBHs) were used… (more)

Subjects/Keywords: QSAR (Bioquímica); Dibenzoilidrazinas; Diterpenos; QSAR; Diterpenoids; Debenzoylhydrazines; Docking

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APA (6th Edition):

Cramer, B. (2011). Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines. (Thesis). Universidade Estadual de Campinas. Retrieved from http://repositorio.unicamp.br/jspui/handle/REPOSIP/249743

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Cramer, Bruno. “Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines.” 2011. Thesis, Universidade Estadual de Campinas. Accessed March 03, 2021. http://repositorio.unicamp.br/jspui/handle/REPOSIP/249743.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Cramer, Bruno. “Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines.” 2011. Web. 03 Mar 2021.

Vancouver:

Cramer B. Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines. [Internet] [Thesis]. Universidade Estadual de Campinas; 2011. [cited 2021 Mar 03]. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/249743.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Cramer B. Estudos de QSAR-2D aplicados a diterpenóides clerodanos e dibenzoilidrazinas: Studies of QSAR-2D applied to clerodane diperpenoids and dibenzoylhydrazines. [Thesis]. Universidade Estadual de Campinas; 2011. Available from: http://repositorio.unicamp.br/jspui/handle/REPOSIP/249743

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

21. Carvalho, Luciana Luzia de. Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1.

Degree: PhD, Físico-Química, 2011, University of São Paulo

Uma etapa essencial no ciclo de vida do vírus HIV é a integração do DNA viral no cromossomo hospedeiro. Essa etapa é catalisada pela enzima… (more)

Subjects/Keywords: CoMFA; CoMFA; Docking molecular; HIV-I; HIV-I; HQSAR; HQSAR; Integrase; Integrase HIV-I; Molecular Docking; QSAR; QSAR; QSAR-3D; QSAR-3D

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APA (6th Edition):

Carvalho, L. L. d. (2011). Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1. (Doctoral Dissertation). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/75/75131/tde-16092011-160536/ ;

Chicago Manual of Style (16th Edition):

Carvalho, Luciana Luzia de. “Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1.” 2011. Doctoral Dissertation, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/75/75131/tde-16092011-160536/ ;.

MLA Handbook (7th Edition):

Carvalho, Luciana Luzia de. “Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1.” 2011. Web. 03 Mar 2021.

Vancouver:

Carvalho LLd. Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1. [Internet] [Doctoral dissertation]. University of São Paulo; 2011. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/75/75131/tde-16092011-160536/ ;.

Council of Science Editors:

Carvalho LLd. Modelagem molecular de uma série de compostos inibidores da enzima integrase do vírus HIV-1. [Doctoral Dissertation]. University of São Paulo; 2011. Available from: http://www.teses.usp.br/teses/disponiveis/75/75131/tde-16092011-160536/ ;

22. Lončar Davor. Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona.

Degree: 2018, University of Novi Sad

<p style="text-align: justify;">Reverzno-faznom tečnom hromatografijom pod visokim pritiskom primenom dva sistema rastvarača ispitano je ponašanje i hromatografska lipofilnost prirodnih stiril laktona 7-(+)- goniofufurona, 7-epi-(+)-goniofufurona, krasalaktona… (more)

Subjects/Keywords: Stiril laktoni, lipofilnost, QSRR, farmakokinetika, QSPKR, citotoksičnost, SAR, molekulski doking, QSAR, 3D-QSAR; Styryl lactones, lipophilicity, QSRR, pharmacokinetic, QSPKR cytotoxicity, SAR, molecular doking, QSAR, 3D-QSAR

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APA (6th Edition):

Davor, L. (2018). Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona. (Thesis). University of Novi Sad. Retrieved from https://www.cris.uns.ac.rs/DownloadFileServlet/Disertacija153207335989899.pdf?controlNumber=(BISIS)107622&fileName=153207335989899.pdf&id=11742&source=OATD&language=en ; https://www.cris.uns.ac.rs/record.jsf?recordId=107622&source=OATD&language=en

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16th Edition):

Davor, Lončar. “Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona.” 2018. Thesis, University of Novi Sad. Accessed March 03, 2021. https://www.cris.uns.ac.rs/DownloadFileServlet/Disertacija153207335989899.pdf?controlNumber=(BISIS)107622&fileName=153207335989899.pdf&id=11742&source=OATD&language=en ; https://www.cris.uns.ac.rs/record.jsf?recordId=107622&source=OATD&language=en.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7th Edition):

Davor, Lončar. “Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona.” 2018. Web. 03 Mar 2021.

Vancouver:

Davor L. Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona. [Internet] [Thesis]. University of Novi Sad; 2018. [cited 2021 Mar 03]. Available from: https://www.cris.uns.ac.rs/DownloadFileServlet/Disertacija153207335989899.pdf?controlNumber=(BISIS)107622&fileName=153207335989899.pdf&id=11742&source=OATD&language=en ; https://www.cris.uns.ac.rs/record.jsf?recordId=107622&source=OATD&language=en.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Davor L. Definisanje lipofilnosti, farmakokinetičkih parametara i antikancerogenog potencijala novosintetisane serije stiril laktona. [Thesis]. University of Novi Sad; 2018. Available from: https://www.cris.uns.ac.rs/DownloadFileServlet/Disertacija153207335989899.pdf?controlNumber=(BISIS)107622&fileName=153207335989899.pdf&id=11742&source=OATD&language=en ; https://www.cris.uns.ac.rs/record.jsf?recordId=107622&source=OATD&language=en

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

23. Gaspar, Héléna Alexandra. Cartography of chemical space : Cartographie de l'espace chimique.

Degree: Docteur es, Chimie, 2015, Université de Strasbourg

Cette thèse est consacrée à la cartographie de l’espace chimique ; son but est d’établir les bases d’un outil donnant une vision d’ensemble d’un jeu… (more)

Subjects/Keywords: Visualisation; Espace chimique; QSAR; Inverse QSAR; Domaine d’applicabilité; Stargate GTM; Données massives; Apprentissage automatique; Visualization; Chemical space; QSAR; Inverse QSAR; Applicability domain; Stargate GTM; Big data; Machine learning; 540.12

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APA (6th Edition):

Gaspar, H. A. (2015). Cartography of chemical space : Cartographie de l'espace chimique. (Doctoral Dissertation). Université de Strasbourg. Retrieved from http://www.theses.fr/2015STRAF030

Chicago Manual of Style (16th Edition):

Gaspar, Héléna Alexandra. “Cartography of chemical space : Cartographie de l'espace chimique.” 2015. Doctoral Dissertation, Université de Strasbourg. Accessed March 03, 2021. http://www.theses.fr/2015STRAF030.

MLA Handbook (7th Edition):

Gaspar, Héléna Alexandra. “Cartography of chemical space : Cartographie de l'espace chimique.” 2015. Web. 03 Mar 2021.

Vancouver:

Gaspar HA. Cartography of chemical space : Cartographie de l'espace chimique. [Internet] [Doctoral dissertation]. Université de Strasbourg; 2015. [cited 2021 Mar 03]. Available from: http://www.theses.fr/2015STRAF030.

Council of Science Editors:

Gaspar HA. Cartography of chemical space : Cartographie de l'espace chimique. [Doctoral Dissertation]. Université de Strasbourg; 2015. Available from: http://www.theses.fr/2015STRAF030

24. SILVA, Aluizio Galdino da. Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti .

Degree: 2015, Universidade Federal de Pernambuco

 Neste trabalho apresentamos os resultados de um estudo teórico envolvendo as relações quantitativas estrutura-atividade (QSAR) e docking molecular para três classes de compostos possuindo atividades… (more)

Subjects/Keywords: Aedes aegypti; QSAR; Docking molecular; Atividade larvicida

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APA (6th Edition):

SILVA, A. G. d. (2015). Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti . (Doctoral Dissertation). Universidade Federal de Pernambuco. Retrieved from https://repositorio.ufpe.br/handle/123456789/33187

Chicago Manual of Style (16th Edition):

SILVA, Aluizio Galdino da. “Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti .” 2015. Doctoral Dissertation, Universidade Federal de Pernambuco. Accessed March 03, 2021. https://repositorio.ufpe.br/handle/123456789/33187.

MLA Handbook (7th Edition):

SILVA, Aluizio Galdino da. “Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti .” 2015. Web. 03 Mar 2021.

Vancouver:

SILVA AGd. Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti . [Internet] [Doctoral dissertation]. Universidade Federal de Pernambuco; 2015. [cited 2021 Mar 03]. Available from: https://repositorio.ufpe.br/handle/123456789/33187.

Council of Science Editors:

SILVA AGd. Estudos de QSAR e docking molecular de compostos oxadiazólicos e tiossemicarbazônicos como agentes larvicidas para o Aedes Aegypti . [Doctoral Dissertation]. Universidade Federal de Pernambuco; 2015. Available from: https://repositorio.ufpe.br/handle/123456789/33187


University of Cambridge

25. Marchese Robinson, Richard Liam. Computational approaches to predicting drug induced toxicity.

Degree: PhD, 2013, University of Cambridge

 Novel approaches and models for predicting drug induced toxicity in silico are presented. Typically, these were based on Quantitative Structure-Activity Relationships (QSAR). The following endpoints… (more)

Subjects/Keywords: 540; Cheminformatics; Toxicology; Machine learning; QSAR

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APA (6th Edition):

Marchese Robinson, R. L. (2013). Computational approaches to predicting drug induced toxicity. (Doctoral Dissertation). University of Cambridge. Retrieved from https://doi.org/10.17863/CAM.16292 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.566196

Chicago Manual of Style (16th Edition):

Marchese Robinson, Richard Liam. “Computational approaches to predicting drug induced toxicity.” 2013. Doctoral Dissertation, University of Cambridge. Accessed March 03, 2021. https://doi.org/10.17863/CAM.16292 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.566196.

MLA Handbook (7th Edition):

Marchese Robinson, Richard Liam. “Computational approaches to predicting drug induced toxicity.” 2013. Web. 03 Mar 2021.

Vancouver:

Marchese Robinson RL. Computational approaches to predicting drug induced toxicity. [Internet] [Doctoral dissertation]. University of Cambridge; 2013. [cited 2021 Mar 03]. Available from: https://doi.org/10.17863/CAM.16292 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.566196.

Council of Science Editors:

Marchese Robinson RL. Computational approaches to predicting drug induced toxicity. [Doctoral Dissertation]. University of Cambridge; 2013. Available from: https://doi.org/10.17863/CAM.16292 ; https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.566196


University of Illinois – Urbana-Champaign

26. Thurston, Bryce A. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.

Degree: PhD, Physics, 2018, University of Illinois – Urbana-Champaign

 Peptide self-assembly has generated significant interest as a means for the bottom-up fabrication of highly tunable biocompatible nanoaggregates. Individual peptides can be synthesized to include… (more)

Subjects/Keywords: Self-Assembly; Molecular Dynamics; Peptide; QSAR/QSPR

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APA (6th Edition):

Thurston, B. A. (2018). Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. (Doctoral Dissertation). University of Illinois – Urbana-Champaign. Retrieved from http://hdl.handle.net/2142/102446

Chicago Manual of Style (16th Edition):

Thurston, Bryce A. “Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.” 2018. Doctoral Dissertation, University of Illinois – Urbana-Champaign. Accessed March 03, 2021. http://hdl.handle.net/2142/102446.

MLA Handbook (7th Edition):

Thurston, Bryce A. “Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides.” 2018. Web. 03 Mar 2021.

Vancouver:

Thurston BA. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. [Internet] [Doctoral dissertation]. University of Illinois – Urbana-Champaign; 2018. [cited 2021 Mar 03]. Available from: http://hdl.handle.net/2142/102446.

Council of Science Editors:

Thurston BA. Composition, thermodynamics, and morphology: A multi-scale computational approach for the design of self-assembling peptides. [Doctoral Dissertation]. University of Illinois – Urbana-Champaign; 2018. Available from: http://hdl.handle.net/2142/102446


University of Louisville

27. Meier, Jason Bradley, 1980-. Structure-based design of inhibitors of CXCR4.

Degree: PhD, 2011, University of Louisville

 Metastasis is a complex process requiring directed migration of metastatic cells to favorable microenvironments. Increased CXCR4 expression has been implicated in more invasive, aggressive and… (more)

Subjects/Keywords: CXCR4; metastasis; GPCR; intracellular; QSAR; molecular dynamics

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APA (6th Edition):

Meier, Jason Bradley, 1. (2011). Structure-based design of inhibitors of CXCR4. (Doctoral Dissertation). University of Louisville. Retrieved from 10.18297/etd/962 ; https://ir.library.louisville.edu/etd/962

Chicago Manual of Style (16th Edition):

Meier, Jason Bradley, 1980-. “Structure-based design of inhibitors of CXCR4.” 2011. Doctoral Dissertation, University of Louisville. Accessed March 03, 2021. 10.18297/etd/962 ; https://ir.library.louisville.edu/etd/962.

MLA Handbook (7th Edition):

Meier, Jason Bradley, 1980-. “Structure-based design of inhibitors of CXCR4.” 2011. Web. 03 Mar 2021.

Vancouver:

Meier, Jason Bradley 1. Structure-based design of inhibitors of CXCR4. [Internet] [Doctoral dissertation]. University of Louisville; 2011. [cited 2021 Mar 03]. Available from: 10.18297/etd/962 ; https://ir.library.louisville.edu/etd/962.

Council of Science Editors:

Meier, Jason Bradley 1. Structure-based design of inhibitors of CXCR4. [Doctoral Dissertation]. University of Louisville; 2011. Available from: 10.18297/etd/962 ; https://ir.library.louisville.edu/etd/962

28. Leis, Gustavo Suzigan. Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental.

Degree: Mestrado, Química, 2014, University of São Paulo

Os estudos de impacto ambiental em sistemas aquáticos são de grande importância, tanto no âmbito social quanto no econômico. Estes têm que contemplar a avaliação… (more)

Subjects/Keywords: Battelle; Battelle; Fenol; IQA; IQA; LogKow; LogKow; LogP; LogP; Phenol; PLS; PLS; QSAR; QSAR

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APA (6th Edition):

Leis, G. S. (2014). Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/59/59138/tde-14012015-095606/ ;

Chicago Manual of Style (16th Edition):

Leis, Gustavo Suzigan. “Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental.” 2014. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/59/59138/tde-14012015-095606/ ;.

MLA Handbook (7th Edition):

Leis, Gustavo Suzigan. “Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental.” 2014. Web. 03 Mar 2021.

Vancouver:

Leis GS. Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental. [Internet] [Masters thesis]. University of São Paulo; 2014. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/59/59138/tde-14012015-095606/ ;.

Council of Science Editors:

Leis GS. Avaliação da toxicidade de diversos fenóis por meio de estudos teóricos e sua influência na determinação do dano ambiental. [Masters Thesis]. University of São Paulo; 2014. Available from: http://www.teses.usp.br/teses/disponiveis/59/59138/tde-14012015-095606/ ;

29. Fioravanti, César Maschio. Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica.

Degree: Mestrado, Física Aplicada, 2015, University of São Paulo

A doença de Chagas é uma doença tropical negligenciada de alta prioridade nos programas de pesquisa e desenvolvimento da Organização Mundial da Saúde (OMS). Endêmica… (more)

Subjects/Keywords: Chagas disease; Doença de Chagas; Medicinal chemistry; Modelagem molecular; Molecular modeling; QSAR; QSAR; Química medicinal

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APA (6th Edition):

Fioravanti, C. M. (2015). Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/76/76132/tde-22042015-170113/ ;

Chicago Manual of Style (16th Edition):

Fioravanti, César Maschio. “Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica.” 2015. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/76/76132/tde-22042015-170113/ ;.

MLA Handbook (7th Edition):

Fioravanti, César Maschio. “Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica.” 2015. Web. 03 Mar 2021.

Vancouver:

Fioravanti CM. Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica. [Internet] [Masters thesis]. University of São Paulo; 2015. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/76/76132/tde-22042015-170113/ ;.

Council of Science Editors:

Fioravanti CM. Estudos de modelagem molecular para uma série de derivados piridínicos com ação antichagásica. [Masters Thesis]. University of São Paulo; 2015. Available from: http://www.teses.usp.br/teses/disponiveis/76/76132/tde-22042015-170113/ ;

30. Silva de Souza, Anacleto. Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol.

Degree: Mestrado, Física Aplicada, 2015, University of São Paulo

A doença de Chagas é uma das doenças tropicais negligenciadas prioritárias para a Organização Mundial da Saúde (OMS). Endêmica na América Latina, é considerada atualmente… (more)

Subjects/Keywords: Chagas' disease; Doença de Chagas; HQSAR; HQSAR; Medicinal chemistry; QSAR; QSAR; Química medicinal

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APA (6th Edition):

Silva de Souza, A. (2015). Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/76/76132/tde-23042015-103717/ ;

Chicago Manual of Style (16th Edition):

Silva de Souza, Anacleto. “Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol.” 2015. Masters Thesis, University of São Paulo. Accessed March 03, 2021. http://www.teses.usp.br/teses/disponiveis/76/76132/tde-23042015-103717/ ;.

MLA Handbook (7th Edition):

Silva de Souza, Anacleto. “Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol.” 2015. Web. 03 Mar 2021.

Vancouver:

Silva de Souza A. Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol. [Internet] [Masters thesis]. University of São Paulo; 2015. [cited 2021 Mar 03]. Available from: http://www.teses.usp.br/teses/disponiveis/76/76132/tde-23042015-103717/ ;.

Council of Science Editors:

Silva de Souza A. Relações quantitativas entre a estrutura e atividade para uma série de antichagásicos derivados do fenarimol. [Masters Thesis]. University of São Paulo; 2015. Available from: http://www.teses.usp.br/teses/disponiveis/76/76132/tde-23042015-103717/ ;

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