机构

• 上海药物研究所 [9]
• 过程工程研究所 [1]

采集方式

• OAI收割 [10]

Content Type

• Journal A... [10]

Issued Date

• 2024 [2]
• 2023 [3]
• 2022 [3]
• 2021 [2]

Subject

筛选

Browse/Search Results:  1-10 of 10 Help 条数/页： 5101520253035404550556065707580859095100 排序方式： SelectSubmit date AscendingSubmit date DescendingTitle AscendingTitle DescendingIssue Date AscendingIssue Date DescendingAuthor AscendingAuthor Descending Fine-tuning large language models for chemical text mining 期刊论文  OAI收割 CHEMICAL SCIENCE, 2024, 页码: 12 Authors:  Zhang, Wei;  Wang, Qinggong;  Kong, Xiangtai;  Xiong, Jiacheng;  Ni, Shengkun   |  Favorite  |  View/Download：4/0  |  Submit date：2024/07/12 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 Authors:  Xiong, Jiacheng;  Cui, Rongrong;  Li, Zhaojun;  Zhang, Wei;  Zhang, Runze   |  Favorite  |  View/Download：9/0  |  Submit date：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 Authors:  Xiong, Jiacheng;  Liu, Xiaohong;  Li, Zhaojun;  Xiao, Hongzhong;  Wang, Guangchao   |  Favorite  |  View/Download：16/0  |  Submit date：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 Authors:  Wang, Yitian;  Xiong, Jiacheng;  Xiao, Fu;  Zhang, Wei;  Cheng, Kaiyang   |  Favorite  |  View/Download：38/0  |  Submit date：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 Authors:  Liu, Xiaohong;  Zhang, Wei;  Tong, Xiaochu;  Zhong, Feisheng;  Li, Zhaojun   |  Favorite  |  View/Download：18/0  |  Submit date：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   Shape Designed Implanted Drug Delivery System for In Situ Hepatocellular Carcinoma Therapy 期刊论文  OAI收割 ACS NANO, 2022, 卷号: 16, 期号: 5, 页码: 8493-8503 Authors:  Zhao, Chaochao;  Shi, Qin;  Li, Hu;  Cui, Xi;  Xi, Yuan   |  Favorite  |  View/Download：27/0  |  Submit date：2023/02/24 hepatocellular carcinoma  self-powered  apatinib  triboelectric nanogenerator  drug delivery   Histone methyltransferase WHSC1 loss dampens MHC-I antigen presentation pathway to impair IFN-gamma stimulated antitumor immunity 期刊论文  OAI收割 JOURNAL OF CLINICAL INVESTIGATION, 2022, 卷号: 132, 期号: 8, 页码: 16 Authors:  Ren, Jiale;  Li, Ni;  Pei, Siyu;  Lian, Yannan;  Li, Li   |  Favorite  |  View/Download：37/0  |  Submit date：2022/06/15 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 Authors:  Xiong, Jiacheng;  Li, Zhaojun;  Wang, Guangchao;  Fu, Zunyun;  Zhong, Feisheng   |  Favorite  |  View/Download：35/0  |  Submit date：2022/06/15 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 Authors:  Xiong, Jiacheng;  Xiang, Yusen;  Huang, Ziming;  Liu, Xiaohong;  Wang, Mengge   |  Favorite  |  View/Download：75/0  |  Submit date：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   Graph neural networks for automated de novo drug design 期刊论文  OAI收割 DRUG DISCOVERY TODAY, 2021, 卷号: 26, 期号: 6, 页码: 1382-1393 Authors:  Xiong, Jiacheng;  Xiong, Zhaoping;  Chen, Kaixian;  Jiang, Hualiang;  Zheng, Mingyue   |  Favorite  |  View/Download：22/0  |  Submit date：2021/08/17