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Binary Classification of Aqueous Solubility Using Support Vector Machines with Reduction and Recombination Feature Selection

[Image: see text] Aqueous solubility is recognized as a critical parameter in both the early- and late-stage drug discovery. Therefore, in silico modeling of solubility has attracted extensive interests in recent years. Most previous studies have been limited in using relatively small data sets with...

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Main Authors: Cheng, Tiejun, Li, Qingliang, Wang, Yanli, Bryant, Stephen H.
פורמט: Artigo
שפה:Inglês
יצא לאור: American Chemical Society 2011
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC3047290/
https://ncbi.nlm.nih.gov/pubmed/21214224
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci100364a
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