🔠I am currently working as a RA in Hengqin Lab.
📑 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 pretraining to learn fragment assemble pattern, improving accuracy and interpretability of SA prediction. [Web] | [DOI] | [Github] | [PDF]
- 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] | [Github] | [PDF]