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Large-Scale Evaluation of Molecular Descriptors by Means of Clustering
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,...
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| Autors principals: | , , |
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| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Public Library of Science
2013
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3877108/ https://ncbi.nlm.nih.gov/pubmed/24391854 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0083956 |
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