机构

• 上海药物研究所 [17]
• 遥感与数字地球研究所 [2]
• 地质与地球物理研究所 [1]
• 国家空间科学中心 [1]
• 武汉病毒研究所 [1]
• 中国科学院大学 [1]
• 更多

采集方式

• OAI收割 [23]
• iSwitch采集 [2]

内容类型

• 期刊论文 [25]

发表日期

• 2024 [2]
• 2023 [3]
• 2022 [1]
• 2021 [1]
• 2020 [6]
• 2019 [2]
• 更多

学科主题

• 半导体物理 [1]
• 空间环境 [1]

筛选

浏览/检索结果: 共25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发表日期升序发表日期降序提交时间升序提交时间降序作者升序作者降序 KinomeMETA: a web platform for kinome-wide polypharmacology profiling with meta-learning 期刊论文  OAI收割 NUCLEIC ACIDS RESEARCH, 2024, 页码: 9 作者:  Li, Zhaojun;  Qu, Ning;  Zhou, Jingyi;  Sun, Jingjing;  Ren, Qun   |  收藏  |  浏览/下载：42/0  |  提交时间：2024/06/27 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：18/0  |  提交时间：2024/05/07 Drug metabolism  Aldehyde oxidase  Transfer learning  Graph neural network  Kinase inhibitor   Computing the relative binding affinity of ligands based on a pairwise binding comparison network 期刊论文  OAI收割 Nature computational science, 2023, 卷号: 3, 期号: 10, 页码: 860-872 作者:  Yu, Jie;  Li, Zhaojun;  Chen, Geng;  Kong, Xiangtai;  Hu, Jie   |  收藏  |  浏览/下载：29/0  |  提交时间：2024/03/26 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：41/0  |  提交时间：2023/12/08 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：28/0  |  提交时间：2024/03/27 De novo molecule design  Generative models  Deep learning  Virtual screening  Compound quality control   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：50/0  |  提交时间：2022/06/15 DrugSpaceX: a large screenable and synthetically tractable database extending drug space 期刊论文  OAI收割 NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: D1170-D1178 作者:  Yang, Tianbiao;  Li, Zhaojun;  Chen, Yingjia;  Feng, Dan;  Wang, Guangchao   |  收藏  |  浏览/下载：69/0  |  提交时间：2021/05/24 Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文  OAI收割 EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16 作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong   |  收藏  |  浏览/下载：70/0  |  提交时间：2020/12/21 Schizophrenia  Multitarget antipsychotic drugs  Recurrent neural network  Multitask deep neural network  Automated drug design   Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8749-8760 作者:  Xiong, Zhaoping;  Wang, Dingyan;  Liu, Xiaohong;  Zhong, Feisheng;  Wan, Xiaozhe   |  收藏  |  浏览/下载：59/0  |  提交时间：2020/12/21 Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文  OAI收割 JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737 作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao   |  收藏  |  浏览/下载：52/0  |  提交时间：2020/12/21