Academic Research

We are committed to exploring cutting-edge technologies and promoting innovation and progress in drug development technologies. This page includes academic research achievements published by our company in collaboration with industry partners, as well as academic results published by our clients based on our products. Additionally, there will be media coverage of our products.

Publications

User Reports and Studies

Prediction of developmental toxic effects of fine particulate matter (PM2.5) water-soluble components via machine learning through observation of PM2.5 from diverse urban areas

Yang Fan, Nannan Sun, Shenchong Lv, Hui Jiang, Ziqing Zhang, Junjie Wang, Yiyi Xie, Xiaomin Yue, Baolan Hu*, Bin Ju*, Peilin Yu*

Science of The Total Environment 2024

Publication Date (web) : June 18, 2024

Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4

Xiaoying Jiang*, Liuxin Lu, Junjie Li, Jing Jiang, Jiapeng Zhang, Shengbin Zhou, Hao Wen, Hong Cai, Xinyu Luo, Zhen Li, Jiahui Wang, Bin Ju*, Renren Bai*

Journal of Medicinal Chemistry 2024

Publication Date (web) : June 12, 2024

Artificial Intelligence-Assisted Optimization of Antipigmentation Tyrosinase Inhibitors: De Novo Molecular Generation Based on a Low Activity Lead Compound

Hong Cai, Wenchao Chen, Jing Jiang, Hao Wen, Xinyu Luo, Junjie Li, Liuxin Lu, Rui Zhao, Xinhua Ni, Yinyan Sun, Jiahui Wang, Zhen Li, Bin Ju*, Xiaoying Jiang*, Renren Bai*

Journal of Medicinal Chemistry 2022, 67, 7, 7260-7275

Publication Date : April 23, 2024

MolProphet: A One-Stop, General Purpose, and AI-Based Platform for the Early Stages of Drug Discovery

Keda Yang, Zewen Xie, Zhen Li, Xiaoliang Qian, Nannan Sun, Tao He, Zuodong Xu, Jing Jiang, Qi Mei, Jie Wang, Shugang Qu, Xiaoling Xu*, Chaoxiang Chen*, Bin Ju*

Journal of Chemical Information and Modeling 2024, 64, 8, 2941-2947

Publication Date : April 02, 2024