Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: Application to G protein-coupled receptors and their ligands

Journal of Chemical Information and Modeling

Volumn 49, Issue 4, 2009, Pages 1049-1062

  Weill, Nathanael ^a   Rognan, Didier ^a  

^a Faculté de Pharmacie   (France)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; FORECASTING; LEARNING ALGORITHMS; PREDICTIVE ANALYTICS; PROTEINS; SUPPORT VECTOR MACHINES;

G PROTEIN COUPLED RECEPTORS; LIGAND PROPERTIES; LIGAND-BINDING SITES; LOW DIMENSIONALITY; MACHINE LEARNING CLASSIFICATION; MOLECULAR COMPLEXITY; MULTIPLE PARAMETERS; SUPPORT VECTOR MACHINE CLASSIFIERS;

LIGANDS;

G PROTEIN COUPLED RECEPTOR; LIGAND;

ARTICLE; ARTIFICIAL INTELLIGENCE; BINDING SITE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; DOCUMENTATION; FACTUAL DATABASE; GENETICS; HUMAN; HYDROGEN BOND; METHODOLOGY; PEPTIDE MAPPING;

ARTIFICIAL INTELLIGENCE; BINDING SITES; COMPUTER SIMULATION; DATABASES, FACTUAL; HUMANS; HYDROGEN BONDING; LIGANDS; MODELS, CHEMICAL; PEPTIDE MAPPING; RECEPTORS, G-PROTEIN-COUPLED; SUBJECT HEADINGS;

EID: 66149131771     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci800447g     Document Type: Article

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