From activity cliffs to target-specific scoring models and pharmacophore hypotheses

ChemMedChem

Volumn 6, Issue 9, 2011, Pages 1630-1639

  Seebeck, Birte ^a   Wagener, Markus ^b   Rarey, Matthias ^a  

^a UNIVERSITY OF HAMBURG   (Germany)

^b MSD   (Netherlands)

Author keywords

Activity cliffs; Protein ligand interactions; QSAR; Structure based pharmacophore elucidation; Target specific scoring

Indexed keywords

ARTICLE; ATOM; ENZYME ACTIVE SITE; HUMAN; HYDROGEN BOND; HYDROPHOBICITY; PHARMACOPHORE; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTEIN PROTEIN INTERACTION; PROTEIN TARGETING; QUANTITATIVE STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DRUG DESIGN; DRUG DISCOVERY; LIGANDS; MODELS, BIOLOGICAL; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; RECEPTORS, DRUG;

EID: 80052080825     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.201100179     Document Type: Article

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