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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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Bibliografiset tiedot
Julkaisussa:ACS Omega
Päätekijät: Perryman, Alexander L., Inoyama, Daigo, Patel, Jimmy S., Ekins, Sean, Freundlich, Joel S.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: American Chemical Society 2020
Linkit: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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