Identification of multitarget activity ridges in high-dimensional bioactivity spaces

Journal of Chemical Information and Modeling

Volumn 52, Issue 10, 2012, Pages 2579-2586

  Gupta Ostermann, Disha ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DATA STRUCTURES; ENZYMES; LANDFORMS; SCAFFOLDS;

ABBOTT LABORATORIES; ACTIVITY SPACES; COMPLEX ARCHITECTURES; HIGH-DIMENSIONAL; KINASE INHIBITORS; SCORING SCHEMES; STRUCTURE-ACTIVITY RELATIONSHIPS; TARGET MATRICES;

SPACE-BASED RADAR;

PROTEIN KINASE; PROTEIN KINASE INHIBITOR;

ALGORITHM; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; DRUG DEVELOPMENT; FACTUAL DATABASE; HUMAN; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; DATABASES, FACTUAL; DRUG DISCOVERY; HUMANS; MODELS, MOLECULAR; PROTEIN KINASE INHIBITORS; PROTEIN KINASES; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84867783524     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci3003683     Document Type: Article

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