Prediction of the effects of small molecules on the gut microbiome using machine learning method integrating with optimal molecular features
Binyou Wang,
Jianmin Guo,
Xiaofeng Liu
et al.
Abstract:Background
The human gut microbiome (HGM), consisting of trillions of microorganisms, is crucial to human health. Adverse drug use is one of the most important causes of HGM disorder. Thus, it is necessary to identify drugs or compounds with anti-commensal effects on HGM in the early drug discovery stage. This study proposes a novel anti-commensal effects classification using a machine learning method and optimal molecular features. To improve the prediction performance, we explored combination… Show more
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