Combining multiple classifications of chemical structures using consensus clustering : Chemoinformatics in Drug Discovery

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Bibliographic Details
Published inBioorganic & medicinal chemistry Vol. 20; no. 18; pp. 5366 - 5371
Main Authors CHU, Chia-Wei, HOLLIDAY, John D, WILLETT, Peter
Format Journal Article
LanguageEnglish
Published Amsterdam Elsevier 2012
Subjects
Biological and medical sciences
Medical sciences
Pharmacology. Drug treatments
Cluster analysis
Fingerprint
k-Means clustering method
Fingerprint method
Consensus clustering
Classification
K means algorithm
Group-average clustering method
Chemometrics
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ISSN:0968-0896
1464-3391