🔭 I am currently finding a PhD position. If you have any suitable opportunities, please don't hesitate to contact me!
📑 C.V. 📫 Email: zhangxiang@simm.ac.cn
😄 I obtained my master's degree at Shanghai Institute of Materia Medica & NJUCM, advised by Prof. Mingyue Zheng and Dr. Xutong Li. My research interests are focused on developing artificial intelligence methods for organic synthesis planning & lead compound discovery, and creating tool websites for them.
🌱 My Representative Works
- SynFrag: A chemist-like synthetic accessibility online platform, performed fragment assembly autogressive generation pre-training on a 9.18M dataset. SynFrag [Journal of Chemical Information and Modeling]Preprint Github
- BioCLIP: A comprehensive model for predicting lead's multiple properties including ADMET, DTI, MoA, pre-trained in a progressive tri-modal bootstrapping contrastive learning framework. Github
- AttFpPost: A molecular property prediction method addressing the overconfidence in out-of-distribution samples. AttFpPost enhances accuracy and efficiency across diverse drug discovery scenarios by integrating normalizing flow. [Patterns]