Composition and topology of activity cliff clusters formed by bioactive compounds

Journal of Chemical Information and Modeling

Volumn 54, Issue 2, 2014, Pages 451-461

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

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

RECURRENT NEURAL NETWORKS; TOPOLOGY;

ACTIVE COMPOUNDS; BIOACTIVE COMPOUNDS; COMPLEX TOPOLOGY; COORDINATED ACTIVITY; IN NETWORKS; LARGE CLUSTERS; SPECIFIC ACTIVITY; STAR TOPOLOGY;

LANDFORMS;

ARTICLE; BIOLOGY; CLUSTER ANALYSIS; DRUG DEVELOPMENT; HUMAN; STRUCTURE ACTIVITY RELATION;

CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; DRUG DISCOVERY; HUMANS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84894650274     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci400728r     Document Type: Article

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