机构

• 上海药物研究所 [26]

采集方式

• OAI收割 [26]

内容类型

• 期刊论文 [26]

发表日期

• 2023 [3]
• 2022 [3]
• 2021 [6]
• 2020 [8]
• 2019 [2]
• 2018 [3]
• 更多

学科主题

筛选

浏览/检索结果: 共26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 Computing the relative binding affinity of ligands based on a pairwise binding comparison network 期刊论文  OAI收割 Nature computational science, 2023, 卷号: 3, 期号: 10, 页码: 860-872 作者:  Yu, Jie;  Li, Zhaojun;  Chen, Geng;  Kong, Xiangtai;  Hu, Jie   |  收藏  |  浏览/下载：8/0  |  提交时间：2024/03/26 αExtractor: a system for automatic extraction of chemical information from biomedical literature 期刊论文  OAI收割 SCIENCE CHINA-LIFE SCIENCES, 2023, 页码: 4 作者:  Xiong, Jiacheng;  Liu, Xiaohong;  Li, Zhaojun;  Xiao, Hongzhong;  Wang, Guangchao   |  收藏  |  浏览/下载：7/0  |  提交时间：2023/12/08 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   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   Multi-instance learning of graph neural networks for aqueous pK(a) prediction 期刊论文  OAI收割 BIOINFORMATICS, 2022, 卷号: 38, 期号: 3, 页码: 792-798 作者:  Xiong, Jiacheng;  Li, Zhaojun;  Wang, Guangchao;  Fu, Zunyun;  Zhong, Feisheng   |  收藏  |  浏览/下载：26/0  |  提交时间：2022/06/15 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 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：27/0  |  提交时间：2021/12/01 drug target inference  transcriptomics  deep learning  experimental verification   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 Structure-Based Virtual Screening and Identification of Potential Inhibitors of SARS-CoV-2 S-RBD and ACE2 Interaction 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2021, 卷号: 9, 页码: 12 作者:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge   |  收藏  |  浏览/下载：69/0  |  提交时间：2021/12/01 SARS-CoV-2  angiotensin-converting enzyme 2 (ACE2)  spike protein receptor-binding domain (S-RBD)  structure-based virtual screening  protein-protein interaction (PPI) inhibitors   Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches 期刊论文  OAI收割 SCIENCE CHINA-LIFE SCIENCES, 2021, 页码: 11 作者:  Xiong, Zhaoping;  Cheng, Ziqiang;  Lin, Xinyuan;  Xu, Chi;  Liu, Xiaohong   |  收藏  |  浏览/下载：23/0  |  提交时间：2021/11/04 federated learning  drug discovery  FedAMP  Non-IID data