From activity cliffs to activity ridges: Informative data structures for SAR analysis

Journal of Chemical Information and Modeling

Volumn 51, Issue 8, 2011, Pages 1848-1856

  Vogt, Martin ^a   Huang, Yun ^a   Bajorath, Jürgen ^a  

^a UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

INFORMATION THEORY;

ACTIVE COMPOUNDS; COMPUTATIONAL IDENTIFICATION; DATA SET; FOCAL POINTS; INFORMATION-THEORETIC APPROACH; STRUCTURAL COMPOSITION; STRUCTURAL CONTENT; SYSTEMATIC ANALYSIS;

LANDFORMS;

DRUG;

ALGORITHM; ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER PROGRAM; COMPUTER SIMULATION; DATA MINING; DRUG DESIGN; DRUG DEVELOPMENT; FACTUAL DATABASE; HUMAN; METHODOLOGY; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; DATA MINING; DATABASES, FACTUAL; DRUG DESIGN; DRUG DISCOVERY; HUMANS; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; SOFTWARE; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 80051982094     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2002473     Document Type: Article

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