F-CPI: Prediction of activity changes induced by fluorine substitution using multimodal deep learning
Qian Zhang, Wenhai Yin, Xinyao Chen, Aimin Zhou, Guixu Zhang, Zhi Qing Zhao, Zhiqiang Li, Yan Zhang, Jingshan Shen, Weiliang Zhu, Xiangrui Jiang, 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.
bioRxiv · Jul 17, 2024 · PreprintBioinformatics