未登录
分享
收藏
分享
收藏Leveraging language model for advanced multiproperty molecular optimization via prompt engineering通过即时工程利用语言模型进行高级多属性分子优化
Wu, Zhenxing; Zhang, Odin; Wang, Xiaorui; Fu, Li; Zhao, Huifeng; Wang, Jike; Du, Hongyan; Jiang, Dejun; Deng, Yafeng; Cao, Dongsheng; Hsieh, Chang-Yu; Hou, Tingjun
分享
收藏
分享
收藏OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds
Yi, Jiacai; Shi, Shaohua; Fu, Li; Yang, Ziyi; Nie, Pengfei; Lu, Aiping; Wu, Chengkun; Deng, Yafeng; Hsieh, Changyu; Zeng, Xiangxiang; Hou, Tingjun; Cao, Dongsheng
分享
收藏
分享
收藏
分享
收藏
分享
收藏
分享
收藏Improved GNNs for Log D7.4 Prediction by Transferring Knowledge from Low-Fidelity Data
Duan, Yan-Jing; Fu, Li; Zhang, Xiao-Chen; Long, Teng-Zhi; He, Yuan-Hang; Liu, Zhao-Qian; Lu, Ai-Ping; Deng, Ya-Feng; Hsieh, Chang-Yu; Hou, Ting-Jun; Cao, Dong-Sheng
分享
收藏Identifying myoglobin as a mediator of diabetic kidney disease: a machine learning-based cross-sectional study
Wu, Ruoru; Shu, Zhihao; Zou, Fei; Zhao, Shaoli; Chan, Saolai; Hu, Yaxian; Xiang, Hong; Chen, Shuhua; Fu, Li; Cao, Dongsheng; Lu, Hongwei
分享
收藏
分享
收藏
分享
收藏
分享
收藏ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET propertiesADMETlab 2.0: 一个集成的在线平台,用于准确,全面地预测ADMET属性
Xiong, Guoli; Wu, Zhenxing; Yi, Jiacai; Fu, Li; Yang, Zhijiang; Hsieh, Changyu; Yin, Mingzhu; Zeng, Xiangxiang; Wu, Chengkun; Lu, Aiping; Chen, Xiang; Hou, Tingjun; Cao, Dongsheng
分享
收藏
分享
收藏
分享
收藏Systematic Modeling of log D7.4 Based on Ensemble Machine Learning, Group Contribution, and Matched Molecular Pair Analysis
Fu, Li; Liu, Lu; Yang, Zhi-Jiang; Li, Pan; Ding, Jun-Jie; Yun, Yong-Huan; Lu, Ai-Ping; Hou, Ting Jun; Cao, Dong-Sheng
分享
收藏