Activity-aware clustering of high throughput screening data and elucidation of orthogonal structure-activity relationships

Journal of Chemical Information and Modeling

Volumn 51, Issue 12, 2011, Pages 3158-3168

  Lounkine, Eugen ^a   Nigsch, Florian ^b   Jenkins, Jeremy L ^a   Glick, Meir ^a  

^a NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH   (United States)

^b NOVARTIS PHARMA AG   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BAYESIAN NETWORKS; BIOACTIVITY; BIOASSAY;

BIOLOGICALLY ACTIVE COMPOUNDS; CHEMICAL SIMILARITY; CLUSTERING TECHNIQUES; HIGH-THROUGHPUT SCREENING; MOLECULAR SIMILARITY; NUMERICAL COMPARISON; ORTHOGONAL STRUCTURES; STRUCTURE-ACTIVITY RELATIONSHIPS;

SCAFFOLDS;

DRUG;

ARTICLE; BAYES THEOREM; CHEMISTRY; CLUSTER ANALYSIS; DRUG DESIGN; HIGH THROUGHPUT SCREENING; METHODOLOGY; PHARMACOLOGY; STRUCTURE ACTIVITY RELATION;

BAYES THEOREM; CLUSTER ANALYSIS; DRUG DESIGN; HIGH-THROUGHPUT SCREENING ASSAYS; PHARMACEUTICAL PREPARATIONS; PHARMACOLOGY; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 84555194677     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci2004994     Document Type: Article

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