Random Forest Model Prediction of Compound Oral Exposure in the Mouse.
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ABSTRACT:
SUBMITTER: Mughal H
PROVIDER: S-EPMC7887840 | biostudies-literature | 2021 Feb
REPOSITORIES: biostudies-literature
Publications
Random Forest Model Prediction of Compound Oral Exposure in the Mouse.
Mughal Haseeb H Wang Han H Zimmerman Matthew M Paradis Marc D MD Freundlich Joel S JS
ACS pharmacology & translational science 20210126 1
An early hurdle in the optimization of small-molecule chemical probes and drug discovery entities is the attainment of sufficient exposure in the mouse via oral administration of the compound. While computational approaches have attempted to predict molecular properties related to the mouse pharmacokinetic (PK) profile, we present herein a machine learning approach to specifically predict the oral exposure of a compound as measured in the mouse snapshot PK assay. A random forest workflow was fou ...[more]
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