Investigation of the use of spectral clustering for the analysis of molecular data

Journal of Chemical Information and Modeling

Volumn 54, Issue 12, 2014, Pages 3302-3319

  Gan, Sonny ^a   Cosgrove, David A ^b   Gardiner, Eleanor J ^a   Gillet, Valerie J ^a  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b ASTRAZENECA   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; EIGENVALUES AND EIGENFUNCTIONS; SINGULAR VALUE DECOMPOSITION;

APPROXIMATE METHODS; ASSOCIATED MATRICES; COMPOUND COLLECTIONS; COX-2 INHIBITORS; EIGENDECOMPOSITION METHODS; EIGENVECTORS AND EIGENVALUES; MOLECULAR DESCRIPTORS; SPECTRAL CLUSTERING;

K-MEANS CLUSTERING;

CYCLOOXYGENASE 2 INHIBITOR;

ALGORITHM; CLUSTER ANALYSIS; DRUG DEVELOPMENT; PROCEDURES; STATISTICS;

ALGORITHMS; CLUSTER ANALYSIS; CYCLOOXYGENASE 2 INHIBITORS; DRUG DISCOVERY; STATISTICS AS TOPIC;

EID: 84919623492     PISSN: 15499596     EISSN: 1549960X     Source Type: Journal    
DOI: 10.1021/ci500480b     Document Type: Article

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