Xiangrui Jiang

This study introduces F-CPI, a deep learning model to predict activity changes from fluorine substitution in drugs, achieving 89% accuracy and demonstrating its utility in optimizing SARS-CoV-2 3CLpro inhibitors.

This paper develops a deep learning system to design multitarget antipsychotic drugs, generating novel compounds with activity against multiple receptors and demonstrating efficacy in animal models.