机构

• 上海药物研究所 [23]

采集方式

• OAI收割 [23]

内容类型

• 期刊论文 [23]

发表日期

• 2024 [2]
• 2023 [4]
• 2022 [2]
• 2021 [5]
• 2020 [5]
• 2019 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共23条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择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发表日期升序发表日期降序 Siteselective and Enantiocomplementary C(sp3)-H Oxyfunctionalization for Synthesis of α-Hydroxy Acids 期刊论文  OAI收割 ACS CATALYSIS, 2024, 卷号: 14, 期号: 7, 页码: 4463-4470 作者:  Lian, Xin;  Mao, Yingle;  Fu, Zunyun;  Zhang, Weijie;  Chen, Jiayan   |  收藏  |  浏览/下载：0/0  |  提交时间：2024/05/07 biocatalysis  C(sp(3))-H functionalization  dioxygenases  asymmetric synthesis  alpha-hydroxyacids   Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 2, 页码: 623-634 作者:  Xiong, Jiacheng;  Cui, Rongrong;  Li, Zhaojun;  Zhang, Wei;  Zhang, Runze   |  收藏  |  浏览/下载：1/0  |  提交时间：2024/05/07 Drug metabolism  Aldehyde oxidase  Transfer learning  Graph neural network  Kinase inhibitor   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：9/0  |  提交时间：2023/12/08 Versatile Biocatalytic C(sp(3))-H Oxyfunctionalization for the Site- Selective and Stereodivergent Synthesis of & alpha;- and & beta;-Hydroxy Acids 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2023, 页码: 9 作者:  Mao, Yingle;  Zhang, Weijie;  Fu, Zunyun;  Liu, Yanqiong;  Chen, Lin   |  收藏  |  浏览/下载：21/0  |  提交时间：2023/10/17 Asymmetric Synthesis  Biocatalysis  C(sp(3))-H Functionalization  Dioxygenases  Enzymes   Asymmetric C1 Extension of Aldehydes through Biocatalytic Cascades for Stereodivergent Synthesis of Mandelic Acids 期刊论文  OAI收割 ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2023, 卷号: 62, 期号: 20 作者:  Liu, Yanqiong;  Fu, Zunyun;  Dong, Haihong;  Zhang, Jingxuan;  Mao, Yingle   |  收藏  |  浏览/下载：20/0  |  提交时间：2024/03/27 Asymmetric C-1 Extension  Biocatalysis  Biocatalytic Cascades  (S)-4-Hydroxymandelate Synthase  Mandelic Acids   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：5/0  |  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：37/0  |  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：29/0  |  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   DFT Mechanism of Cu Catalyzed Coupling Reaction to Alkyl Aryl Ethers 期刊论文  OAI收割 ACTA CHIMICA SINICA, 2021, 卷号: 79, 期号: 7, 页码: 948-952 作者:  Man, Qingmin;  Fu, Zunyun;  Liu, Tiantian;  Zheng, Mingyue;  Jiang, Hualiang   |  收藏  |  浏览/下载：29/0  |  提交时间：2021/11/04 density functional theory  Cu catalyzed  Ullmann C=O coupling  tert-butoxide