A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor-Reference-Cited by-同舟云学术

A support vector machines approach for virtual screening of active compounds of single and multiple mechanisms from large libraries at an improved hit-rate and enrichment factor

Published:2008-06 Issue:8 Volume:26 Page:1276-1286
ISSN:1093-3263
Container-title:Journal of Molecular Graphics and Modelling
language:en
Short-container-title:Journal of Molecular Graphics and Modelling

Author:

Han L.Y.,Ma X.H.,Lin H.H.,Jia J.,Zhu F.,Xue Y.,Li Z.R.,Cao Z.W.,Ji Z.L.,Chen Y.Z.

Publisher

Elsevier BV

Subject

Materials Chemistry,Computer Graphics and Computer-Aided Design,Physical and Theoretical Chemistry,Spectroscopy

Reference87 articles.

1. Virtual screening of chemical libraries;Shoichet;Nature,2004

2. Novel technologies for virtual screening;Lengauer;Drug Discov. Today,2004

3. Streamlining lead discovery by aligning in silico and high-throughput screening;Davies;Curr. Opin. Chem. Biol.,2006

4. Similarity-based virtual screening using 2D fingerprints;Willett;Drug Discov. Today,2006

5. ADMET in silico modelling: towards prediction paradise?;van de Waterbeemd;Nat. Rev. Drug Discov.,2003

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