Is conformation relevant for <scp>QSAR</scp> purposes? <scp>2D</scp> Chemical representation in a <scp>3D‐QSAR</scp> perspective-Reference-Cited by-同舟云学术

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Is conformation relevant for QSAR purposes? 2D Chemical representation in a 3D‐QSAR perspective

Published:2022-03-22 Issue:13 Volume:43 Page:917-922
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Daré Joyce K.¹,Freitas Matheus P.¹^ORCID

Affiliation:

1. Departamento de Química, Instituto de Ciências Naturais Universidade Federal de Lavras Lavras Minas Gerais Brazil

Funder

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26848

Reference30 articles.

1. Understanding the Roles of the “Two QSARs”

2. Chemometrics for QSAR Modeling

3. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins

4. Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity

5. A novel descriptor based on atom-pair properties

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1. QSAR Studies, Synthesis, and Biological Evaluation of New Pyrimido-Isoquinolin-Quinone Derivatives against Methicillin-Resistant Staphylococcus aureus;Pharmaceuticals;2023-11-17

2. Past, Present, and Future Perspectives on Computer-Aided Drug Design Methodologies;Molecules;2023-05-05

3. In silico modeling of the AHAS inhibition of an augmented series of pyrimidine herbicides and design of novel derivatives;Journal of Molecular Graphics and Modelling;2022-11

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