Search Result "chemical diversity algorithms"


Novel Algorithms for the Identification of Biologically Informative Chemical Diversity Metrics

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 1 Year: 2008 Page: 23-34
Author(s): Gerald H. Lushington, Bhargav Theertham, Jenna L. Wang, Jianwen Fang

Review Article

Molecular Diversity Assessment using Chemotypes

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 1 Year: 2022 Page: 1-8
Author(s): Hugo O. Villar,Raghav Mandayan,Mark R. Hansen

Diversity in Medicinal Chemistry Space

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 3-18
Author(s): Alain-Dominique Gorse

Chemical and Structural Diversity of siRNA Molecules

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 9 Year: 2006 Page: 913-925
Author(s): Barbara Nawrot, Katarzyna Sipa

The Applications of Machine Learning Algorithms in the Modeling of Estrogen-Like Chemicals

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 5 Year: 2009 Page: 490-496
Author(s): Huanxiang Liu, Xiaojun Yao, Paola Gramatica

Research Article

Identify Protein 8-Class Secondary Structure with Quadratic Discriminant Algorithm based on the Feature Combination

Journal: Letters in Organic Chemistry
Volume: 14 Issue: 9 Year: 2017 Page: 625-631
Author(s): Zhao Wei,Feng Yonge

Molecular Docking Algorithms

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1040-1047
Author(s): Raquel Dias, Walter Filgueira de Azevedo Jr.

General Research Article

Feature Selection Algorithm for High-dimensional Biomedical Data Using Information Gain and Improved Chemical Reaction Optimization

Journal: Current Bioinformatics
Volume: 15 Issue: 8 Year: 2020 Page: 912-926
Author(s): Ge Zhang,Pan Yu,Jianlin Wang,Chaokun Yan

Visualization of the Chemical Space in Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 4 Year: 2008 Page: 322-333
Author(s): Jose L. Medina-Franco, Karina Martinez-Mayorga, Marc A. Giulianotti, Richard A. Houghten, Clemencia Pinilla

Computational Techniques for Diversity Analysis and Compound Classification

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 4 Issue: 1 Year: 2004 Page: 1029-1039
Author(s): D. B. Kitchen, F. L. Stahura, J. Bajorath

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