Visualization of molecular selectivity and structure generation for selective dopamine inhibitors

Molecular Informatics

Volumn 29, Issue 11, 2010, Pages 793-800

  Hasegawa, Kiyoshi ^a   Keiya, Migita ^b   Funatsu, Kimito ^b  

^a CHUGAI PHARMACEUTICAL CO LTD   (Japan)

^b UNIVERSITY OF TOKYO   (Japan)

Author keywords

Activity landscape; De novo design; Molecular selectivity; Pharmacophore elucidation; Visualization

Indexed keywords

AMINES; ISOENZYMES; NEUROPHYSIOLOGY; REGRESSION ANALYSIS;

ACTIVITY LANDSCAPE; CHEMICAL SPACE; DATAPOINTS; DE NOVO DESIGN; DOPAMINE; INHIBITORY ACTIVITY; MOLECULAR SELECTIVITY; PHARMACOPHORE ELUCIDATION; PHARMACOPHORES; STRUCTURE GENERATION;

VISUALIZATION;

DOPAMINE 2 RECEPTOR; DOPAMINE 3 RECEPTOR; DOPAMINE 4 RECEPTOR; DOPAMINE RECEPTOR BLOCKING AGENT; ISOENZYME;

ARTICLE; DRUG SELECTIVITY; DRUG STRUCTURE; ENZYME ACTIVE SITE; MULTIDIMENSIONAL SCALING; PRIORITY JOURNAL; SUPPORT VECTOR MACHINE;

EID: 78650191703     PISSN: 18681743     EISSN: 18681751     Source Type: Journal    
DOI: 10.1002/minf.201000096     Document Type: Article

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