Posted by Luyao Ma on July 10, 2022
Posted in news
Posted by Luyao Ma on October 31, 2021
Posted in news
Posted by Luyao Ma on May 11, 2020
Posted in news
2020 年 2 月 25 日,北京生命科学研究所/清华大学生物医学交叉研究院黄牛实验室在《Frontiers in Pharmacology》杂志发表题为“Predicting or Pretending: Artificial Intelligence for Protein-Ligand Interactions Lack of Sufficiently Large and Unbiased Datasets”的文章,发现 AI 用于预测蛋白-配体相互作用时,常用的训练集(PDBbind和DUD-E)对AI模型训练存在严重数据偏向(data bias),导致 AI 模型表现虚高,预测缺乏泛化能力和鲁棒性,误导本领域的方法发展和实际应用,并基于此提出了如何客观评估 AI 模型的观点和建议。
Posted by Luyao Ma on February 12, 2020
Posted in news
Hong Lin, Xiaozhe Zhang, Li Liu, Qiuyu Fu, Chuanlong Zang, Yan Ding, Yang Su, Zhixue Xu, Sining He, Xiaoli Yang, Xiayun Wei, Haibin Mao, Yasong Cui, Yi Wei, Chuanzheng Zhou, Lilin Du, Niu Huang, Ning Zheng, Tao Wang, and Feng Rao