Search Result "virtual libraries"


On Various Metrics Used for Validation of Predictive QSAR Models with Applications in Virtual Screening and Focused Library Design

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 450-474
Author(s): Kunal Roy, Indrani Mitra

Integrating Virtual Screening and Combinatorial Chemistry for Accelerated Drug Discovery

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 14 Issue: 6 Year: 2011 Page: 475-487
Author(s): Fabian Lopez-Vallejo, Thomas Caulfield, Karina Martinez-Mayorga, Marc A. Giulianotti, Adel Nefzi, Richard A. Houghten, Jose L. Medina-Franco

Library Design Practices for Success in Lead Generation With Small Molecule Libraries

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 6 Issue: 7 Year: 2003 Page: 649-660
Author(s): R. A. Goodnow Jr., W. Guba, W. Haap

Review Article

Virtual Screening Techniques in Drug Discovery: Review and Recent Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 19 Issue: 1 Year: 2019 Page: 1751-1767
Author(s): Sheisi F.L. da Silva Rocha,Carolina G. Olanda,Harold H. Fokoue,Carlos M.R. Sant'Anna

Library Design for Fragment Based Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 5 Issue: 8 Year: 2005 Page: 751-762
Author(s): Ansgar Schuffenhauer, Simon Ruedisser, Andreas Marzinzik, Wolfgang Jahnke, Paul Selzer, Edgar Jacoby

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

Rational Design Approaches to Chemical Libraries for Hit Identification

Journal: Current Drug Discovery Technologies
Volume: 3 Issue: 1 Year: 2006 Page: 49-65
Author(s): Konstantin V. Balakin, Alexander V. Kozintsev, Alex S. Kiselyov, Nikolay P. Savchuk

The Different Strategies for Designing GPCR and Kinase Targeted Libraries

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 7 Issue: 5 Year: 2004 Page: 495-510
Author(s): J. F. Lowrie, R. K. Delisle, D. W. Hobbs, D. J. Diller

Virtual Screening in Drug Design and Development

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 13 Issue: 5 Year: 2010 Page: 442-453
Author(s): Sergio F. Sousa, Nuno M.F.S.A. Cerqueira, Pedro A. Fernandes, Maria Joao Ramos

Virtual Screening: Are We There Yet?

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1159-1167
Author(s): Mehran Jalaie, Veerabahu Shanmugasundaram

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