Development of a spectral clustering method for the analysis of molecular data sets

Journal of Chemical Information and Modeling

Volumn 47, Issue 5, 2007, Pages 1727-1733

  Brewer, Mark L ^a  

^a EVOTEC UK LTD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DATA REDUCTION; DATA STRUCTURES; SPECTRUM ANALYSIS;

INTERMOLECULAR SIMILARITY; SPECTRAL CLUSTERING;

MOLECULAR STRUCTURE;

CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITOR;

ALGORITHM; ARTICLE; CHEMISTRY; CLUSTER ANALYSIS; COMPUTER SIMULATION; CONFORMATION; DRUG SCREENING; FACTUAL DATABASE; INFORMATION SCIENCE; STRUCTURE ACTIVITY RELATION;

ALGORITHMS; CLUSTER ANALYSIS; COMPUTER SIMULATION; CYCLOOXYGENASE 2; CYCLOOXYGENASE 2 INHIBITORS; DATABASES, FACTUAL; DRUG EVALUATION, PRECLINICAL; INFORMATICS; MOLECULAR CONFORMATION; STRUCTURE-ACTIVITY RELATIONSHIP;

EID: 35248839332     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci600565r     Document Type: Article

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