Stochastic versus Stepwise Strategies for Quantitative Structure−Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?-Reference-Cited by-同舟云学术

Stochastic versus Stepwise Strategies for Quantitative Structure−Activity Relationship GenerationHow Much Effort May the Mining for Successful QSAR Models Take?

Published:2007-05-01 Issue:3 Volume:47 Page:927-939
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Horvath Dragos¹,Bonachera Fanny¹,Solov'ev Vitaly¹,Gaudin Cédric¹,Varnek Alexander¹

Affiliation:

1. UGSF-UMR 8576 CNRS/USTL, Université de Lille 1, Bât C9., 59650 Villeneuve d'Ascq, France, Laboratoire d'Infochimie, UMR 7551 CNRS, Université Louis Pasteur, 4, rue B. Pascal, Strasbourg 67000, France, Technologies Servier, 25-27 rue E. Vignat, 45000 Orléans, France, and Institute of Physical Chemistry, Russian Academy of Sciences, Leninskiy prospect 31a, 119991 Moscow, Russia

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci600476r

Reference38 articles.

1. Toward Generating Simpler QSAR Models: Nonlinear Multivariate Regression versus Several Neural Network Ensembles and Some Related Methods

2. Toxicity of Aliphatic Ethers: A Comparative Study

3. Integrating research and development: the emergence of rational drug design in the pharmaceutical industry

4. Assessing Model Fit by Cross-Validation

5. Cross-validation as the objective function for variable-selection techniques

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