机构

• 上海药物研究所 [13]
• 广州地球化学研究所 [2]
• 过程工程研究所 [1]

采集方式

• OAI收割 [16]

内容类型

• 期刊论文 [16]

发表日期

• 2025 [2]
• 2024 [5]
• 2023 [3]
• 2022 [3]
• 2021 [2]
• 2019 [1]
• 更多

学科主题

筛选

浏览/检索结果: 共16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：2/0  |  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 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 Application of an absolute reference frame for methane clumped-isotope analyses 期刊论文  OAI收割 CHEMICAL GEOLOGY, 2024, 卷号: 646, 页码: 9 作者:  Liu, Qingmei;  Li, Jiacheng;  Jiang, Wenmin;  Li, Yun;  Lin, Mang   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/09/12 Methane  Clumped isotopes  High-resolution gas-source isotope-ratio mass  spectrometry  Absolute reference frame  Formation temperature   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   Deciphering the origin and secondary alteration of deep natural gas in the Tarim basin through paired methane clumped isotopes 期刊论文  OAI收割 MARINE AND PETROLEUM GEOLOGY, 2024, 卷号: 160, 页码: 11 作者:  Jiang, Wenmin   |  收藏  |  浏览/下载：19/0  |  提交时间：2024/09/10 Methane clumped isotopes  Natural gas  Source identification  Secondary alteration  Tarim basin   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：49/0  |  提交时间：2023/12/08 LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP 期刊论文  OAI收割 JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13 作者:  Wang, Yitian;  Xiong, Jiacheng;  Xiao, Fu;  Zhang, Wei;  Cheng, Kaiyang   |  收藏  |  浏览/下载：57/0  |  提交时间：2023/10/17 logD7.4  Lipid solubility  Graph neural network  Molecular property prediction   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：34/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control