Machine Learning Predicts Drug Metabolism and Bioaccumulation by Intestinal Microbiota.

ABSTRACT: Over 150 drugs are currently recognised as being susceptible to metabolism or bioaccumulation (together described as depletion) by gastrointestinal microorganisms; however, the true number is likely higher. Microbial drug depletion is often variable between and within individuals, depending on their unique composition of gut microbiota. Such variability can lead to significant differences in pharmacokinetics, which may be associated with dosing difficulties and lack of medication response. In this study, literature mining and unsupervised learning were used to curate a dataset of 455 drug-microbiota interactions. From this, 11 supervised learning models were developed that could predict drugs' susceptibility to depletion by gut microbiota. The best model, a tuned extremely randomised trees

SUBMITTER: McCoubrey LE 

PROVIDER: S-EPMC8707855 | biostudies-literature | 2021 Nov

REPOSITORIES: biostudies-literature