Search Result "virtual libraries"


Comparative Analysis of Machine Learning Methods in Ligand-Based Virtual Screening of Large Compound Libraries

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 344-357
Author(s): Xiao H. Ma, Jia Jia, Feng Zhu, Ying Xue, Ze R. Li, Yu Z. Chen

Combined Virtual Screening Strategies

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 23-37
Author(s): Alan Talevi, Luciana Gavernet, Luis E. Bruno-Blanch

Self-Organizing Maps in Drug Discovery: Compound Library Design, Scaffold-Hopping, Repurposing

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 3 Year: 2009 Page: 258-266
Author(s): P. Schneider, Y. Tanrikulu, G. Schneider

Design and Combinatorial Synthesis of a Library of Methylenesulfonamides and Related Compounds as Potential Kinase Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 3 Year: 2009 Page: 275-284
Author(s): Jane E. Torr, Jonathan M. Large, Edward McDonald

Virtual High Throughput Screening Using Combined Random Forest and Flexible Docking

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 5 Year: 2009 Page: 484-489
Author(s): Dariusz Plewczynski, Marcin von Grotthuss, Leszek Rychlewski, Krzysztof Ginalski

Customizing G Protein-Coupled Receptor Models for Structure-Based Virtual Screening

Journal: Current Pharmaceutical Design
Volume: 15 Issue: 3 Year: 2009 Page: 4026-4048
Author(s): Chris de Graaf, Didier Rognan

Structure-Based Virtual Ligand Screening: Recent Success Stories

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 1 Year: 2009 Page: 1000-1016
Author(s): Bruno O. Villoutreix, Richard Eudes, Maria A. Miteva

Docking-Based Virtual Screening: Recent Developments

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 3 Year: 2009 Page: 303-314
Author(s): Tiziano Tuccinardi

Bayesian Modeling in Virtual High Throughput Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 5 Year: 2009 Page: 469-483
Author(s): Anthony E. Klon

Machine Learning in Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 332-343
Author(s): James L. Melville, Edmund K. Burke, Jonathan D. Hirst

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