Clustering and rule-based classifications of chemical structures evaluated in the biological activity space

Journal of Chemical Information and Modeling

Volumn 47, Issue 2, 2007, Pages 325-336

  Schuffenhauer, Ansgar ^a   Brown, Nathan ^a   Ertl, Peter ^a   Jenkins, Jeremy L ^a   Selzer, Paul ^a   Hamon, Jacques ^a  

^a NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BIOACTIVITY; CLASSIFICATION (OF INFORMATION); COMPUTATIONAL METHODS; MOLECULAR STRUCTURE; OPTIMIZATION; PATTERN RECOGNITION;

CHEMICAL STRUCTURES; DATA SETS; MOLECULAR DESCRIPTORS; RULE BASED CLASSIFICATION;

CLUSTER ANALYSIS;

DRUG;

ARTICLE; BIOLOGY; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; CLASSIFICATION; CLUSTER ANALYSIS; GENETIC DATABASE; STATISTICS; STRUCTURE ACTIVITY RELATION;

CLUSTER ANALYSIS; COMPUTATIONAL BIOLOGY; DATABASES, GENETIC; MODELS, CHEMICAL; MOLECULAR STRUCTURE; PHARMACEUTICAL PREPARATIONS; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 34247198331     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci6004004     Document Type: Article

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