GRID-based three-dimensional pharmacophores II: Pharmbench, a benchmark data set for evaluating pharmacophore elucidation methods

Journal of Chemical Information and Modeling

Volumn 52, Issue 10, 2012, Pages 2599-2608

  Cross, Simon ^a   Ortuso, Francesco ^b   Baroni, Massimo ^a   Costa, Giosuè ^b   Distinto, Simona ^b   Moraca, Federica ^b   Alcaro, Stefano ^b   Cruciani, Gabriele ^c  

^a Molecular Discovery Limited   (United Kingdom)

^b UNIVERSITY MAGNA GRAECIA OF CATANZARO   (Italy)

^c UNIVERSITY OF PERUGIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALIGNMENT; CONFORMATIONS; LIGANDS; WEB SERVICES;

BIOACTIVE CONFORMATION; COMMON FEATURES; GOLD STANDARDS; OBJECTIVE MEASURE; PROTEIN TARGETS; ROOT MEAN SQUARE; TWO-DIMENSIONAL STRUCTURES; VALIDATION METHODOLOGIES;

PHARMACODYNAMICS;

BIOLOGICAL PRODUCT; LIGAND; PROTEIN;

ALGORITHM; ARTICLE; BINDING SITE; CHEMICAL PHENOMENA; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; DRUG DESIGN; HUMAN; METHODOLOGY; STRUCTURE ACTIVITY RELATION; X RAY CRYSTALLOGRAPHY;

ALGORITHMS; BINDING SITES; BIOLOGICAL AGENTS; COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; DRUG DESIGN; HUMANS; HYDROPHOBIC AND HYDROPHILIC INTERACTIONS; LIGANDS; MODELS, MOLECULAR; PROTEINS; RESEARCH DESIGN; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84867812471     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci300154n     Document Type: Article

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