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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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Detalles Bibliográficos
Autores principales: Dehmer, Matthias, Emmert-Streib, Frank, Tripathi, Shailesh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2013
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

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