A virtual screening method for prediction of the hERG potassium channel liability of compound libraries

ChemBioChem

Volumn 3, Issue 5, 2002, Pages 455-459

  Roche, Olivier ^a   Trube, Gerhard ^a   Zuegge, Jochen ^a   Pflimlin, Pascal ^a   Alanine, Alexander ^a   Schneider, Gisbert ^a,b  

^a F HOFFMANN LA ROCHE LTD   (Switzerland)

^b GOETHE UNIVERSITY   (Germany)

Author keywords

Bioinformatics; Combinational chemistry; Drug design; Neural network; Structure activity relationship

Indexed keywords

1' (6 CYANO 1,2,3,4 TETRAHYDRO 2 NAPHTHYL) 3,4 DIHYDRO 6 METHANESULFONAMIDOSPIRO[2H 1 BENZOPYRAN 2,4' PIPERIDIN] 4 OL; ANTIARRHYTHMIC AGENT; ANTIBIOTIC AGENT; ANTIHISTAMINIC AGENT; ANTIINFECTIVE AGENT; ASTEMIZOLE; AZIMILIDE; BEPRIDIL; CALCIUM CHANNEL BLOCKING AGENT; CIPROFLOXACIN; CLARITHROMYCIN; DILTIAZEM; DOMPERIDONE; DROPERIDOL; EBASTINE; ERYTHROMYCIN; GATIFLOXACIN; GLIBENCLAMIDE; GREPAFLOXACIN; HALOFANTRINE; ION CHANNEL; ISRADIPINE; KETOCONAZOLE; LEVOFLOXACIN; LORATADINE; MEXILETINE; MIZOLASTINE; ONDANSETRON; POTASSIUM CHANNEL; POTASSIUM CHANNEL BLOCKING AGENT; UNINDEXED DRUG; VERAPAMIL;

ARTICLE; ARTIFICIAL NEURAL NETWORK; BIOINFORMATICS; DRUG DESIGN; MOLECULAR WEIGHT; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION;

CATION TRANSPORT PROTEINS; COMBINATORIAL CHEMISTRY TECHNIQUES; DATABASES, FACTUAL; DNA-BINDING PROTEINS; DRUG DESIGN; ETHER-A-GO-GO POTASSIUM CHANNELS; HUMANS; LINEAR MODELS; MOLECULAR STRUCTURE; NEURAL NETWORKS (COMPUTER); NONLINEAR DYNAMICS; POTASSIUM CHANNELS; POTASSIUM CHANNELS, VOLTAGE-GATED; STRUCTURE-ACTIVITY RELATIONSHIP; TRANS-ACTIVATORS;

EID: 0036904104     PISSN: 14394227     EISSN: None     Source Type: Journal    
DOI: 10.1002/1439-7633(20020503)3:5<455::AID-CBIC455>3.0.CO;2-L     Document Type: Article

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