Wei-Rong Yao

Machine learning for identifying antibacterial agents derived from yam (Dioscorea) and elucidating antibacterial mechanisms based on metabolomics

Saponins from edible plants are promising natural antibacterial agents because of their structural diversity, abundance, and safety. To rapidly identify antibacterial saponins, this study developed a machine learning-based screening strategy using multimodal early fusion of 1D&2D, 3D, and MACCS molecular features. Pred...