Virtual screening methods as tools for drug lead discovery from large chemical libraries

Current Medicinal Chemistry

Volumn 19, Issue 32, 2012, Pages 5562-5571

  Ma, X H ^a,b   Zhu, F ^a   Liu, X ^b   Shi, Z ^b   Zhang, J X ^b   Yang, S Y ^a   Wei, Y Q ^a   Chen, Y Z ^a,b  

^a SICHUAN UNIVERSITY   (China)

^b NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Machine learning; Molecular docking; Pharmacophore; Quantitative structure activity relationship; Similarity searching; Support vector machines

Indexed keywords

ANDROGEN RECEPTOR; ANTHRAX TOXIN; BCR ABL PROTEIN; BETA LACTAMASE AMPC; CARBONATE DEHYDRATASE IX; CEPHALOSPORIN DERIVATIVE; DNA TOPOISOMERASE (ATP HYDROLYSING) B; ECDYSONE; G PROTEIN COUPLED RECEPTOR 40; GLUTAMATE TRANSPORTER; HISTONE DEACETYLASE; I KAPPA B KINASE BETA; METHYLTRANSFERASE; N METHYL DEXTRO ASPARTIC ACID; NICOTINIC ACID ADENINE DINUCLEOTIDE PHOSPHATE; PHOSPHATIDYLINOSITOL 3 KINASE; PHOSPHODIESTERASE; PHOSPHODIESTERASE V; PHYTOENE SYNTHASE; POLYDEOXYRIBONUCLEOTIDE SYNTHASE; PREALBUMIN; PROTEIN BCL XL; PROTEIN KINASE PIM 1; PROTEIN TYROSINE KINASE; RENIN; RNA DIRECTED RNA POLYMERASE; SIALIDASE; TAUROCHOLIC ACID; UNINDEXED DRUG; UREASE;

ARTICLE; DATA BASE; DRUG SCREENING; HIGH THROUGHPUT SCREENING; HUMAN; LIGAND BASED VIRTUAL SCREENING; MACHINE LEARNING; MOLECULAR DOCKING; MOLECULAR LIBRARY; NONHUMAN; PERFORMANCE; PHARMACOPHORE; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SIMILARITY SEARCHING; STRUCTURE BASED VIRTUAL SCREENING;

DRUG DISCOVERY; DRUG EVALUATION, PRECLINICAL; HUMANS; SMALL MOLECULE LIBRARIES;

EID: 84870443681     PISSN: 09298673     EISSN: 1875533X     Source Type: Journal    
DOI: 10.2174/092986712803833245     Document Type: Article

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