Activity cliff clusters as a source of structure-activity relationship information

Expert Opinion on Drug Discovery

Volumn 10, Issue 5, 2015, Pages 441-447

  Dimova, Dilyana ^a   Stumpfe, Dagmar ^a   Hu, Ye ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

AC clusters; Activity cliffs; Compound data mining; Networks; SAR information extraction; Structure activity relationships

Indexed keywords

ADENOSINE A3 RECEPTOR ANTAGONIST;

ACTIVITY CLIFF; ANALYTIC METHOD; BIOLOGICAL ACTIVITY; CLUSTER ANALYSIS; COMPUTATIONAL FLUID DYNAMICS; DATA MINING; DRUG DISTRIBUTION; DRUG POTENCY; INFORMATION PROCESSING; KNOWLEDGE BASE; MATCHING MOLECULAR SERIES; MEDICINAL CHEMISTRY; MOLECULAR MODEL; PRIORITY JOURNAL; REVIEW; STRUCTURE ACTIVITY RELATION; TOPOGRAPHY; DRUG DESIGN; HUMAN; PROCEDURES;

CHEMISTRY, PHARMACEUTICAL; CLUSTER ANALYSIS; DATA MINING; DRUG DESIGN; HUMANS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84928316439     PISSN: 17460441     EISSN: 1746045X     Source Type: Journal    
DOI: 10.1517/17460441.2015.1019861     Document Type: Review

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