Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches

Journal of Chemical Information and Modeling

Volumn 53, Issue 8, 2013, Pages 1915-1922

  Fourches, Denis ^a   Muratov, Eugene ^a,b   Ding, Feng ^c   Dokholyan, Nikolay V ^c   Tropsha, Alexander ^a  

^a University of North Carolina   (United States)

^b A V BOGATSKY PHYSICO CHEMICAL INSTITUTE   (Ukraine)

^c UNIVERSITY OF NORTH CAROLINA SCHOOL OF MEDICINE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINARY ALLOYS; BINDERS; BINDING ENERGY; COMPUTATIONAL CHEMISTRY; FORECASTING; MOLECULAR GRAPHICS; PREDICTIVE ANALYTICS;

BINDING AFFINITIES; COMPLEMENT STRUCTURE; CONGENERIC SERIES; PREDICTION ACCURACY; PREDICTION PERFORMANCE; PROTEIN TARGETS; SPEARMAN CORRELATION; SPEARMAN CORRELATION COEFFICIENTS;

LIGANDS;

LIGAND; PROTEIN BINDING;

ARTICLE; DRUG DATABASE; DRUG DEVELOPMENT; METHODOLOGY; MOLECULAR DOCKING; PROTEIN BINDING; QUANTITATIVE STRUCTURE ACTIVITY RELATION; SUPPORT VECTOR MACHINE; PROCEDURES;

DATABASES, PHARMACEUTICAL; DRUG DISCOVERY; LIGANDS; MOLECULAR DOCKING SIMULATION; PROTEIN BINDING; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SUPPORT VECTOR MACHINES;

EID: 84883217252     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400216q     Document Type: Article

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