Towards molecular design using 2D-molecular contour maps obtained from PLS regression coefficients
Author:
Affiliation:
1. Department of Chemistry, Federal University of Lavras, Lavras, Brazil
2. Facultad de Medicina, Universidad de Las Américas, Quito, Ecuador
Funder
Fundação de Amparo à Pesquisa do Estado de Minas Gerais
Conselho Nacional de Desenvolvimento Científico e Tecnológico
Publisher
Informa UK Limited
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Molecular Biology,Biophysics
Link
https://www.tandfonline.com/doi/pdf/10.1080/00268976.2017.1347294
Reference23 articles.
1. QSAR Modeling: Where Have You Been? Where Are You Going To?
2. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure
3. Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
4. Employing conformational analysis in the molecular modeling of agrochemicals: insights on QSAR parameters of 2,4-D
5. Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?
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