Large-scale evaluation of molecular descriptors by means of clustering
Large-scale evaluation of molecular descriptors by means of clustering
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United States: Public Library of Science
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Language
English
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Publisher
United States: Public Library of Science
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Molecular descriptors have been explored extensively. From these studies, it is known that a large number of descriptors are strongly correlated and capture similar characteristics of molecules. In this paper, we evaluate 919 Dragon-descriptors of 6 different categories by means of clustering. Also, we analyze these different categories of descript...
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Full title
Large-scale evaluation of molecular descriptors by means of clustering
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TN_cdi_plos_journals_1473341833
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https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_plos_journals_1473341833
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ISSN
1932-6203
E-ISSN
1932-6203
DOI
10.1371/journal.pone.0083956
