中国科学院机构知识库网格系统: 检索

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	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: \| 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
	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：15/0 \| 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 \| 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
	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 作者: Zhao, Chaochao; Shi, Qin; Li, Hu; Cui, Xi; Xi, Yuan \| 收藏 \| 浏览/下载：20/0 \| 提交时间：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 作者: Ren, Jiale; Li, Ni; Pei, Siyu; Lian, Yannan; Li, Li \| 收藏 \| 浏览/下载：29/0 \| 提交时间：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 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
	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 作者: Xiong, Jiacheng; Xiang, Yusen; Huang, Ziming; Liu, Xiaohong; Wang, Mengge \| 收藏 \| 浏览/下载：71/0 \| 提交时间：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 作者: Xiong, Jiacheng; Xiong, Zhaoping; Chen, Kaixian; Jiang, Hualiang \| 收藏 \| 浏览/下载：18/0 \| 提交时间：2021/08/17