机构

• 上海药物研究所 [21]

采集方式

• OAI收割 [21]

内容类型

• 期刊论文 [20]
• 会议论文 [1]

发表日期

• 2023 [2]
• 2022 [3]
• 2021 [2]
• 2020 [4]
• 2019 [3]
• 2018 [4]
• 更多

学科主题

筛选

浏览/检索结果: 共21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     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Discovery and Mechanism Study of SARS-CoV-2 3C-like Protease Inhibitors with a New Reactive Group 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2023, 页码: 18 作者:  Ren, Pengxuan;  Li, Hui;  Nie, Tianqing;  Jian, Xiaoqin;  Yu, Changyue   |  收藏  |  浏览/下载：9/0  |  提交时间：2023/10/17 MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42 作者:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun   |  收藏  |  浏览/下载：4/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   Blood–brain barrier penetration prediction enhanced by uncertainty estimation 期刊论文  OAI收割 Journal of Cheminformatics, 2022, 卷号: 14, 期号: 1 作者:  Tong,Xiaochu;  Wang,Dingyan;  Ding,Xiaoyu;  Tan,Xiaoqin;  Ren,Qun   |  收藏  |  浏览/下载：26/0  |  提交时间：2022/08/16 Blood–brain barrier penetration  BBBp prediction  Uncertainty estimation   An inductive graph neural network model for compound-protein interaction prediction based on a homogeneous graph 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2022, 页码: 13 作者:  Wan, Xiaozhe;  Wu, Xiaolong;  Wang, Dingyan;  Tan, Xiaoqin;  Liu, Xiaohong   |  收藏  |  浏览/下载：35/0  |  提交时间：2022/06/15 compound-protein interaction prediction  homogeneous graph  end-to-end learning  inductive graph neural network   Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 1, 页码: 103-119 作者:  Tan, Xiaoqin;  Li, Chunpu;  Yang, Ruirui;  Zhao, Sen;  Li, Fei   |  收藏  |  浏览/下载：32/0  |  提交时间：2022/06/15 Generative Models for De Novo Drug Design 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 19, 页码: 14011-14027 作者:  Tong, Xiaochu;  Liu, Xiaohong;  Tan, Xiaoqin;  Li, Xutong;  Jiang, Jiaxin   |  收藏  |  浏览/下载：33/0  |  提交时间：2021/12/16 DrugSpaceX: a large screenable and synthetically tractable database extending drug space 期刊论文  OAI收割 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：46/0  |  提交时间：2021/05/24 Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文  OAI收割 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：52/0  |  提交时间：2020/12/21 Schizophrenia  Multitarget antipsychotic drugs  Recurrent neural network  Multitask deep neural network  Automated drug design   Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文  OAI收割 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：35/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文  OAI收割 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：20/0  |  提交时间：2020/12/21