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Pruned Machine Learning Models to Predict Aqueous Solubility

[Image: see text] Solubility is a key metric for therapeutic compounds. Conversely, insoluble compounds cloud the accuracy of assays at all stages of chemical biology and drug discovery. Herein, we disclose naïve Bayesian classifier models to predict aqueous solubility. Publicly accessible aqueous s...

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Publicado en:ACS Omega
Main Authors: Perryman, Alexander L., Inoyama, Daigo, Patel, Jimmy S., Ekins, Sean, Freundlich, Joel S.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2020
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7364544/
https://ncbi.nlm.nih.gov/pubmed/32685821
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acsomega.0c01251
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