MIA-plot: a graphical tool for viewing descriptor contributions in MIA-QSAR-Reference-Cited by-同舟云学术

MIA-plot: a graphical tool for viewing descriptor contributions in MIA-QSAR

Published:2016 Issue:55 Volume:6 Page:49604-49612
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Barigye Stephen J.¹²³⁴,Duarte Mariene H.¹²³⁴,Nunes Cleiton A.⁵²³⁴,Freitas Matheus P.¹²³⁴

Affiliation:

1. Department of Chemistry

2. Federal University of Lavras

3. Lavras

4. Brazil

5. Department of Food Sciences

Abstract

Chemically intuitive information from MIA molecular descriptors that correlate to bioactivity values was obtained from the analysis of PLS regression coefficients and variable importance in projection scores.

Funder

Fundação de Amparo à Pesquisa do Estado de Minas Gerais

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA09593C

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3. The History and Development of Quantitative Structure-Activity Relationships (QSARs)

4. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

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

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