BiotaPredictor: A machine learning framework for predicting drug depletion by the human gut microbiota

BiotaPredictor is a freely accessible web-based machine learning platform that predicts drug depletion by human gut microbiota from molecular structure. A logistic regression model using physicochemical descriptors, trained on an annotated AstraZeneca dataset of 158 compounds alongside an integrated dataset of 522 compounds, correctly classified all compounds in external validation (3 depleted, 9 stable). It enables early triage of compounds at risk of microbiota-mediated loss, informing lead optimization and pharmacokinetic prediction.