Exploring SAR continuity in the vicinity of activity cliffs

Chemical Biology and Drug Design

Volumn 79, Issue 1, 2012, Pages 22-29

  Namasivayam, Vigneshwaran ^a   Iyer, Preeti ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

Activity cliffs; Activity landscapes; Data mining; Large scale SAR analysis; Particle swarm optimization; SAR continuity; SAR discontinuity; Structure activity relationships

Indexed keywords

ENZYME INHIBITOR;

ARTICLE; CALCULATION; DATA ANALYSIS; DRUG ACTIVITY; DRUG STRUCTURE; DRUG TARGETING; ENZYME INHIBITION; PRIORITY JOURNAL; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DATABASES, FACTUAL; ENZYME INHIBITORS; ENZYMES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84155162374     PISSN: 17470277     EISSN: 17470285     Source Type: Journal    
DOI: 10.1111/j.1747-0285.2011.01256.x     Document Type: Article

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