Evaluation of binary QSAR models derived from LUDI and MOE scoring functions for structure based virtual screening

Journal of Chemical Information and Modeling

Volumn 46, Issue 1, 2006, Pages 39-51

  Prathipati, Philip ^a   Saxena, Anil K ^a  

^a CENTRAL DRUG RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; ENZYME INHIBITION; FREE ENERGY; MATHEMATICAL MODELS; PROTEINS; SYNTHESIS (CHEMICAL); VIRTUAL REALITY;

METALLOPROTEASE 3 INHIBITORS (MMP-3); NEW CHEMICAL ENTITIES (NCE); QSAR MODELS; VIRTUAL SCREENING;

SCREENING;

BLOOD CLOTTING FACTOR 10A; CHOLINESTERASE INHIBITOR; ESTROGEN RECEPTOR; STROMELYSIN;

ARTICLE; BIOLOGY; CHEMICAL STRUCTURE; DRUG ANTAGONISM; DRUG SCREENING; FACTUAL DATABASE; METABOLISM; METHODOLOGY; QUANTITATIVE STRUCTURE ACTIVITY RELATION; REPRODUCIBILITY;

CHOLINESTERASE INHIBITORS; COMPUTATIONAL BIOLOGY; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; FACTOR XA; MATRIX METALLOPROTEINASE 3; MOLECULAR STRUCTURE; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, ESTROGEN; REPRODUCIBILITY OF RESULTS;

EID: 33244484838     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci050120w     Document Type: Conference Paper

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