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浏览/检索结果: 共12条，第1-10条 帮助 限定条件 专题：上海药物研究所    第一署名单位    第一作者单位    通讯作者单位     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 DrugSpaceX: a large screenable and synthetically tractable database extending drug space 期刊论文 NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: D1170-D1178 作者:  Yang, Tianbiao;  Li, Zhaojun;  Chen, Yingjia;  Feng, Dan;  Wang, Guangchao 收藏  |  浏览/下载：54/0  |  提交时间：2021/05/24 Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16 作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong 收藏  |  浏览/下载：33/0  |  提交时间：2020/12/21 Schizophrenia  Multitarget antipsychotic drugs  Recurrent neural network  Multitask deep neural network  Automated drug design   Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8749-8760 作者:  Xiong, Zhaoping;  Wang, Dingyan;  Liu, Xiaohong;  Zhong, Feisheng;  Wan, Xiaozhe 收藏  |  浏览/下载：14/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao 收藏  |  浏览/下载：26/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao 收藏  |  浏览/下载：23/0  |  提交时间：2020/12/21 Optimizing chemical reaction conditions using deep learning: a case study for the Suzuki-Miyaura cross-coupling reaction 期刊论文 ORGANIC CHEMISTRY FRONTIERS, 2020, 卷号: 7, 期号: 16, 页码: 2269-2277 作者:  Fu, Zunyun;  Li, Xutong;  Wang, Zhaohui;  Li, Zhaojun;  Liu, Xiaohong 收藏  |  浏览/下载：33/0  |  提交时间：2020/12/24 Discovery of Highly Potent, Selective, and Orally Efficacious p300/CBP Histone Acetyltransferases Inhibitors 期刊论文 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 3, 页码: 1337-1360 作者:  Yang, Yaxi;  Zhang, Rukang;  Li, Zhaojun;  Mei, Lianghe;  Wan, Shili 收藏  |  浏览/下载：40/0  |  提交时间：2020/07/01 KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules 期刊论文 BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356 作者:  Li, Zhaojun;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun;  Xiong, Zhaoping 收藏  |  浏览/下载：79/0  |  提交时间：2020/07/01 Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family 期刊论文 FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17 作者:  Li, Fei;  Wan, Xiaozhe;  Xing, Jing;  Tan, Xiaoqin;  Li, Xutong 收藏  |  浏览/下载：7/0  |  提交时间：2020/07/01 deep neural network  virtual screening  methyltransferase  epigenetic  drug design   Artificial intelligence in drug design 期刊论文 SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204 作者:  Zhong, Feisheng;  Xing, Jing;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun 收藏  |  浏览/下载：28/0  |  提交时间：2019/01/08 drug design  artificial intelligence  deep learning  QSAR  ADME/T