In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.

Abstract

Aqueous solubility is one of the most important ADMET properties to assess and to optimize during the drug discovery process. At present, accurate prediction of solubility remains very challenging and there is an important need of independent benchmarking of the existing in silico models such as to suggest solutions for their improvement. In this study, we… (More)
DOI: 10.1021/mp300234q

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