学术科研

收录我司领衔或与行业伙伴合作产出的、面向公众的学术成果,旨在深入探索尖端技术,并携手推动药物研发技术的革新与进步

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 2024, 67, 8, 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

Meta Learning with Attention Based FP-GNNs for Few-Shot Molecular Property Prediction

Xiaoliang Qian, Bin Ju, Ping Shen, Keda Yang*, Li Li*, Qi Liu*

ACS Omega 2024, 9, 22, 23940-23948

Publication Date : May 23, 2024

Graph-Based Generative Adversarial Networks for Molecular Generation with Noise Diffusion

Jianyang Wang, Bin Ju, Xiaoliang Qian, Minchao Ye, Wanli Huo

ICBBB '24: Proceedings of the 2024 14th International Conference on Bioscience, Biochemistry and Bioinformatics 2024, 1-6

Publication Date : March 01, 2024

The Subacute Toxicity and Underlying Mechanisms of Biomimetic Mesoporous Polydopamine Nanoparticles

Bangyao Chen, Siying Hong, Hanmin Wang, Yi Shi, Peng Wang, Xiaojuan Wang, Qianyang Jiang, Keda Yang*, Wei Chen*, Xiaoling Xu*

Particle and Fibre Toxicology 2023, 20, 38

Publication Date : October 08, 2023