Predicting compound selectivity by self-organizing maps: Cross-activities of metabotropic glutamate receptor antagonists

ChemMedChem

Volumn 1, Issue 10, 2006, Pages 1066-1068

  Noeske, Tobias ^a,b   Sasse, Britta C ^a   Stark, Holger ^a   Parsons, Christopher G ^b   Weil, Tanja ^b   Schneider, Gisbert ^a  

^a GOETHE UNIVERSITY   (Germany)

^b MERZ PHARMACEUTICALS GMBH   (Germany)

Author keywords

Bioinformatics; Drug design; Kohonen network; Topological pharmacophore; Virtual screening

Indexed keywords

AMINO ACID RECEPTOR BLOCKING AGENT; HETEROCYCLIC COMPOUND; LIGAND; METABOTROPIC RECEPTOR; PYRIDINE DERIVATIVE; QUINOLINE DERIVATIVE;

ALGORITHM; ARTICLE; ARTIFICIAL NEURAL NETWORK; AUTOMATED PATTERN RECOGNITION; BINDING SITE; CHEMISTRY; CLUSTER ANALYSIS; DRUG ANTAGONISM; DRUG DESIGN; FACTUAL DATABASE; NONLINEAR SYSTEM; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; AZA COMPOUNDS; BINDING SITES; CLUSTER ANALYSIS; DATABASES, FACTUAL; DRUG DESIGN; EXCITATORY AMINO ACID ANTAGONISTS; LIGANDS; NEURAL NETWORKS (COMPUTER); NONLINEAR DYNAMICS; PATTERN RECOGNITION, AUTOMATED; PYRIDINES; QUINOLINES; RECEPTORS, METABOTROPIC GLUTAMATE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 33750357203     PISSN: 18607179     EISSN: 18607187     Source Type: Journal    
DOI: 10.1002/cmdc.200600147     Document Type: Article

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