Target-specific support vector machine scoring in structure-based virtual screening: Computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation

Journal of Chemical Information and Modeling

Volumn 51, Issue 4, 2011, Pages 755-759

  Li, Liwei ^a,b   Khanna, May ^a   Jo, Inha ^a   Wang, Fang ^a   Ashpole, Nicole M ^b   Hudmon, Andy ^a,b   Meroueh, Samy O ^a,b  

^a INDIANA UNIVERSITY   (United States)

^b INDIANA UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; BIOLOGICAL ORGANS; CALCIUM COMPOUNDS; CELL CULTURE; CELL PROLIFERATION; CELLS; DIGITAL LIBRARIES; DISEASES; SUPPORT VECTOR MACHINES;

AREA UNDER THE CURVES; COMPUTATIONAL VALIDATION; DOSE-DEPENDENT MANNER; HOMOLOGY MODELING; NON-SMALL CELL LUNG CARCINOMATA; RECEIVER OPERATING CHARACTERISTICS; SCORING FUNCTIONS; VIRTUAL SCREENING;

ENZYMES;

CALCIUM CALMODULIN DEPENDENT PROTEIN KINASE II; EGFR PROTEIN, HUMAN; ENZYME INHIBITOR; EPIDERMAL GROWTH FACTOR RECEPTOR;

ALGORITHM; ARTIFICIAL INTELLIGENCE; BINDING SITE; CELL PROLIFERATION; CHEMICAL STRUCTURE; CHEMISTRY; DRUG ANTAGONISM; DRUG DEVELOPMENT; DRUG EFFECT; ENZYMOLOGY; HUMAN; IC 50; LETTER; LUNG NON SMALL CELL CANCER; LUNG TUMOR; METHODOLOGY; MOLECULAR LIBRARY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; RECEIVER OPERATING CHARACTERISTIC; TUMOR CELL LINE;

ALGORITHMS; ARTIFICIAL INTELLIGENCE; BINDING SITES; CALCIUM-CALMODULIN-DEPENDENT PROTEIN KINASE TYPE 2; CARCINOMA, NON-SMALL-CELL LUNG; CELL LINE, TUMOR; CELL PROLIFERATION; DRUG DISCOVERY; ENZYME INHIBITORS; HUMANS; INHIBITORY CONCENTRATION 50; LUNG NEOPLASMS; MODELS, MOLECULAR; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTOR, EPIDERMAL GROWTH FACTOR; ROC CURVE; SMALL MOLECULE LIBRARIES;

EID: 79955401050     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci100490w     Document Type: Article

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