机构

• 上海药物研究所 [27]

采集方式

• OAI收割 [27]

内容类型

• 期刊论文 [27]

发表日期

• 2024 [6]
• 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27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 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：94/0  |  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:     |  收藏  |  浏览/下载：3/0  |  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：5/0  |  提交时间：2024/12/11 pharmacokinetic parameters  machine learning  uncertainty  stacking  multitask learning  ADME   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：5/0  |  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：12/0  |  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：11/0  |  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：19/0  |  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：34/0  |  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：42/0  |  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：22/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control