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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,...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Public Library of Science
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3877108/ https://www.ncbi.nlm.nih.gov/pubmed/24391854 http://dx.doi.org/10.1371/journal.pone.0083956 |