Vol 8: Large-Scale Evaluation of Molecular Descriptors by Means of Clustering.Report as inadecuate



 Vol 8: Large-Scale Evaluation of Molecular Descriptors by Means of Clustering.


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This article is from PLoS ONE, volume 8.AbstractMolecular 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 descriptors also find a subset of descriptors which are least correlated among each other and, hence, characterize molecular graphs distinctively.



Author: Dehmer, Matthias; Emmert-Streib, Frank; Tripathi, Shailesh

Source: https://archive.org/







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