机构

• 上海药物研究所 [11]

采集方式

• OAI收割 [11]

内容类型

• 期刊论文 [11]

发表日期

• 2022 [2]
• 2021 [1]
• 2020 [4]
• 2019 [2]
• 2018 [1]
• 2017 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共11条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 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：44/0  |  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：46/0  |  提交时间：2022/06/15 Drug target inference by mining transcriptional data using a novel graph convolutional network framework 期刊论文  OAI收割 PROTEIN & CELL, 2021, 页码: 21 作者:  Zhong, Feisheng;  Wu, Xiaolong;  Yang, Ruirui;  Li, Xutong;  Wang, Dingyan   |  收藏  |  浏览/下载：31/0  |  提交时间：2021/12/01 drug target inference  transcriptomics  deep learning  experimental verification   Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文  OAI收割 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：50/0  |  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：42/0  |  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：28/0  |  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  OAI收割 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：32/0  |  提交时间：2020/12/24 KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules 期刊论文  OAI收割 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：240/0  |  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  OAI收割 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：19/0  |  提交时间：2020/07/01 deep neural network  virtual screening  methyltransferase  epigenetic  drug design   Preclinical characterization of anlotinib, a highly potent and selective vascular endothelial growth factor receptor-2 inhibitor 期刊论文  OAI收割 CANCER SCIENCE, 2018, 卷号: 109, 期号: 4, 页码: 1207-1219 作者:  Xie, Chengying;  Wan, Xiaozhe;  Quan, Haitian;  Zheng, Mingyue;  Fu, Li   |  收藏  |  浏览/下载：53/0  |  提交时间：2019/01/08 angiogenesis  anlotinib  tyrosine kinase inhibitor  VEGF  VEGFR2