Virtual screening of selective multitarget kinase inhibitors by combinatorial support vector machines

Molecular Pharmaceutics

Volumn 7, Issue 5, 2010, Pages 1545-1560

  Ma, X H ^a   Wang, R ^a   Tan, C Y ^b   Jiang, Y Y ^b   Lu, T ^c   Rao, H B ^c   Li, X Y ^c   Go, M L ^a   Low, B C ^a   Chen, Y Z ^a,b,c  

^a NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

^b TSINGHUA UNIVERSITY   (China)

^c SICHUAN UNIVERSITY   (China)

Author keywords

Anticancer; computer aided drug design; high throughput screening; kinase inhibitor; multitarget; support vector machines; virtual screening

Indexed keywords

ANTINEOPLASTIC AGENT; CYCLIN DEPENDENT KINASE 1; CYCLIN DEPENDENT KINASE 2; DUAL PHOSPHOTRANSFERASE INHIBITOR; EPIDERMAL GROWTH FACTOR RECEPTOR; FIBROBLAST GROWTH FACTOR RECEPTOR; GLYCOGEN SYNTHASE KINASE 3; PHOSPHOTRANSFERASE; PHOSPHOTRANSFERASE INHIBITOR; PLATELET DERIVED GROWTH FACTOR RECEPTOR; PROTEIN KINASE LCK; PROTEIN TYROSINE KINASE; UNCLASSIFIED DRUG; VASCULOTROPIN RECEPTOR; ZINC;

ARTICLE; COMBINATORIAL SUPPORT VECTOR MACHINE; COMPUTER AIDED DESIGN; CONTROLLED STUDY; DRUG DESIGN; DRUG SCREENING; DRUG SELECTIVITY; DRUG TARGETING; HIGH THROUGHPUT SCREENING; MULTIDRUG TARGETING; PRIORITY JOURNAL; SUPPORT VECTOR MACHINE; VIRTUAL REALITY;

ANTINEOPLASTIC AGENTS; CDC2 PROTEIN KINASE; CYCLIN-DEPENDENT KINASE 2; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; GLYCOGEN SYNTHASE KINASE 3; HUMANS; LYMPHOCYTE SPECIFIC PROTEIN TYROSINE KINASE P56(LCK); PROTEIN KINASE INHIBITORS; RECEPTOR, EPIDERMAL GROWTH FACTOR; RECEPTORS, FIBROBLAST GROWTH FACTOR; RECEPTORS, PLATELET-DERIVED GROWTH FACTOR; RECEPTORS, VASCULAR ENDOTHELIAL GROWTH FACTOR; SRC-FAMILY KINASES; SUPPORT VECTOR MACHINES; USER-COMPUTER INTERFACE;

EID: 77957730447     PISSN: 15438384     EISSN: 15438392     Source Type: Journal    
DOI: 10.1021/mp100179t     Document Type: Article

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