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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2011
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3047290/ https://www.ncbi.nlm.nih.gov/pubmed/21214224 http://dx.doi.org/10.1021/ci100364a |