机构

• 上海药物研究所 [31]

采集方式

• OAI收割 [31]

内容类型

• 期刊论文 [31]

发表日期

• 2025 [3]
• 2024 [7]
• 2023 [4]
• 2022 [2]
• 2021 [5]
• 2020 [5]
• 更多

学科主题

筛选

浏览/检索结果: 共31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作者升序作者降序题名升序题名降序发表日期升序发表日期降序 NMRExtractor: leveraging large language models to construct an experimental NMR database from open-source scientific publications 期刊论文  OAI收割 CHEMICAL SCIENCE, 2025, 卷号: 16, 期号: 25, 页码: 11548-11558 作者:  Wang, Qinggong;  Zhang, Wei;  Chen, Mingan;  Li, Xutong;  Xiong, Zhaoping   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/08/20 Methotrexate exerts antitumor immune activity and improves the clinical efficacy of immunotherapy in patients with solid tumors 期刊论文  OAI收割 SCIENCE TRANSLATIONAL MEDICINE, 2025, 卷号: 17, 期号: 801, 页码: 18 作者:  Yang, Ruirui;  Wang, Bei;  Su, Zhaoming;  Song, Ying;  Zhang, Yingying   |  收藏  |  浏览/下载：6/0  |  提交时间：2025/08/20 Bridging chemistry and artificial intelligence by a reaction description language 期刊论文  OAI收割 NATURE MACHINE INTELLIGENCE, 2025, 卷号: 7, 期号: 5, 页码: 16 作者:  Xiong, Jiacheng;  Zhang, Wei;  Wang, Yinquan;  Huang, Jiatao;  Shi, Yuqi   |  收藏  |  浏览/下载：9/0  |  提交时间：2025/07/25 FAPM: functional annotation of proteins using multimodal models beyond structural modeling 期刊论文  OAI收割 BIOINFORMATICS, 2024, 卷号: 40, 期号: 12, 页码: 12 作者:  Xiang, Wenkai;  Xiong, Zhaoping;  Chen, Huan;  Xiong, Jiacheng;  Zhang, Wei   |  收藏  |  浏览/下载：119/0  |  提交时间：2025/01/14 SurfDock is a surface-informed diffusion generative model for reliable and accurate protein-ligand complex prediction 期刊论文  OAI收割 NATURE METHODS, 2024, 页码: 24 作者:  Cao, Duanhua;  Chen, Mingan;  Zhang, Runze;  Wang, Zhaokun;  Huang, Manlin   |  收藏  |  浏览/下载：23/0  |  提交时间：2025/01/06 Prediction of Multi-Pharmacokinetics Property in Multi-Species: Bayesian Neural Network Stacking Model with Uncertainty 期刊论文  OAI收割 MOLECULAR PHARMACEUTICS, 2024, 页码: 16 作者:  Zhang, Yuanyuan;  Xie, Zhiyin;  Xiao, Fu;  Yu, Jie;  Fan, Zhehuan   |  收藏  |  浏览/下载：20/0  |  提交时间：2024/12/11 pharmacokinetic parameters  machine learning  uncertainty  stacking  multitask learning  ADME   Identifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics 期刊论文  OAI收割 CELL GENOMICS, 2024, 卷号: 4, 期号: 10, 页码: 100655 作者:  Ni, Shengkun;  Kong, Xiangtai;  Zhang, Yingying;  Chen, Zhengyang;  Wang, Zhaokun   |  收藏  |  浏览/下载：19/0  |  提交时间：2025/06/04 Fine-tuning large language models for chemical text mining 期刊论文  OAI收割 CHEMICAL SCIENCE, 2024, 页码: 12 作者:  Zhang, Wei;  Wang, Qinggong;  Kong, Xiangtai;  Xiong, Jiacheng;  Ni, Shengkun   |  收藏  |  浏览/下载：33/0  |  提交时间：2024/07/12 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：28/0  |  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：24/0  |  提交时间：2024/05/07 Drug metabolism  Aldehyde oxidase  Transfer learning  Graph neural network  Kinase inhibitor