BioinformaticsbioRxivPreprint
F-CPI: Prediction of activity changes induced by fluorine substitution using multimodal deep learning
Qian Zhang, Wenhai Yin, Xinyao Chen…·Zhijian Xu
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.
DOI 10.1101/2024.07.17.602844