A graph neural network approach for predicting drug susceptibility in the human microbiome

Maryam, Mobeen Ur Rehman, Irfan Hussain, Hilal Tayara, Kil To Chong

Abstract: Highlights•Utilizing the SMILE data augmentation methods enhances the performance of the predictive models.•Developed a graph neural network for accurate and robust microbiome drug depletion analysis.•High-throughput screening and Molecular Docking analysis revealing detailed drug-microbiome protein interactions at molecular level.•Potential therapeutic implications and future directions for personalized medicines and drug development.