Predicting kinase selectivity profiles using Free-Wilson QSAR analysis

Journal of Chemical Information and Modeling

Volumn 48, Issue 9, 2008, Pages 1851-1867

  Sciabola, Simone ^a,b,c   Stanton, Robert V ^b   Wittkopp, Sarah ^b   Wildman, Scott ^b   Moshinsky, Deborah ^b   Potluri, Shobha ^b   Xi, Hualin ^b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b PFIZER GLOBAL RESEARCH AND DEVELOPMENT   (United States)

^c Research Technology Center   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL CHEMISTRY; DIAGNOSIS; DIGITAL LIBRARIES; DISEASES; ENZYME INHIBITION; MOLECULAR GRAPHICS;

DISEASE TREATMENT; KINASE INHIBITORS; PROFILE PREDICTION; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS; SCREENING DATA; SMALL MOLECULE INHIBITOR; STRUCTURE-SELECTIVITY RELATIONSHIP; VIRTUAL LIBRARIES;

STRUCTURAL DESIGN;

ENZYME INHIBITOR; PHOSPHOTRANSFERASE; PYRAZOLE DERIVATIVE; PYRIMIDINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG ANTAGONISM; DRUG DESIGN; IC 50; PREDICTION AND FORECASTING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY; X RAY CRYSTALLOGRAPHY;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; ENZYME INHIBITORS; INHIBITORY CONCENTRATION 50; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PHOSPHOTRANSFERASES; PREDICTIVE VALUE OF TESTS; PYRAZOLES; PYRIMIDINES; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; REPRODUCIBILITY OF RESULTS;

EID: 54249154267     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800138n     Document Type: Article

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