Polypharmacology directed compound data mining: Identification of promiscuous chemotypes with different activity profiles and comparison to approved drugs

Journal of Chemical Information and Modeling

Volumn 50, Issue 12, 2010, Pages 2112-2118

  Hu, Ye ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

SCAFFOLDS; TOPOLOGY;

ACTIVE COMPOUNDS; ATOMIC PROPERTIES; BIOACTIVE COMPOUNDS; CONVENTIONAL DRUGS; DESIGN STRATEGIES; MOLECULAR TOPOLOGIES; MULTIPLE TARGETS; NETWORK REPRESENTATION;

DATA MINING;

DRUG;

ARTICLE; CHEMISTRY; COMPARATIVE STUDY; DATA MINING; DRUG APPROVAL; HUMAN; METHODOLOGY; PHARMACOLOGY; STRUCTURE ACTIVITY RELATION;

DATA MINING; DRUG APPROVAL; HUMANS; PHARMACEUTICAL PREPARATIONS; PHARMACOLOGY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 78650715341     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci1003637     Document Type: Article

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