Support vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical libraries

Journal of Chemical Information and Modeling

Volumn 51, Issue 9, 2011, Pages 2132-2138

  Li, Liwei ^a   Wang, Bo ^a   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 ENERGY; COMPLEXATION; DIGITAL LIBRARIES; KNOWLEDGE BASED SYSTEMS; PHYSICOCHEMICAL PROPERTIES; SUPPORT VECTOR MACHINES;

BINDING AFFINITIES; CHEMICAL LIBRARIES; COMMUNITY STRUCTURES; CORRELATION COEFFICIENT; RECEPTOR-LIGAND COMPLEX; REGRESSION MODE; SCORING FUNCTIONS; VIRTUAL SCREENING;

SUPPORT VECTOR REGRESSION;

CELL SURFACE RECEPTOR; LIGAND;

ARTICLE; CHEMISTRY; MOLECULAR LIBRARY; PROTEIN BINDING; PROTEIN DATABASE; STRUCTURE ACTIVITY RELATION;

DATABASES, PROTEIN; LIGANDS; PROTEIN BINDING; RECEPTORS, CELL SURFACE; SMALL MOLECULE LIBRARIES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80053313926     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci200078f     Document Type: Article

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