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• 上海药物研究所 [44]
• 长春应用化学研究所 [14]
• 化学研究所 [7]
• 大连化学物理研究所 [5]
• 自动化研究所 [5]
• 合肥物质科学研究院 [4]
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采集方式

• OAI收割 [100]
• iSwitch采集 [1]

内容类型

• 期刊论文 [100]
• 学位论文 [1]

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• 2024 [5]
• 2023 [2]
• 2022 [3]
• 2021 [2]
• 2020 [5]
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学科主题

• Chemistry [4]
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筛选

浏览/检索结果: 共101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 Advancing active compound discovery for novel drug targets: insights from AI-driven approaches 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12 作者:  Wang, Xing-you;  Chen, Yang;  Li, Yu-fan;  Wei, Chao-yang;  Liu, Meng-ya   |  收藏  |  浏览/下载：6/0  |  提交时间：2025/08/20 AI-driven drug discovery  novel drug targets  molecular design  ligand exploration  phenotypic drug discovery  undruggable targets   In silico off-target profiling for enhanced drug safety assessment 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 2927-2941 作者:  Liu, Jin;  Gui, Yike;  Rao, Jingxin;  Sun, Jingjing;  Wang, Gang   |  收藏  |  浏览/下载：19/0  |  提交时间：2024/08/22 Drug safety  Off-target prediction  Adverse drug reactions  Toxicity  Molecular representation  Artificial intelligence   Synergistic effects and competitive relationships between DOC and DOX as acting on DNA molecules: Studied with confocal Raman spectroscopy and molecular docking technology 期刊论文  OAI收割 HELIYON, 2024, 卷号: 10, 期号: 9 作者:  Zhou, Suli;  Feng, Xiaoqiang;  Bai, Jintao;  Sun, Dan;  Yao, Baoli   |  收藏  |  浏览/下载：34/0  |  提交时间：2024/09/06 Laser confocal Raman spectroscopy  Docetaxel  Drug-DNA interaction  Synergistic and competitive effects  Molecular docking   Studying the Effects and Competitive Mechanisms of YOYO-1 on the Binding Characteristics of DOX and DNA Molecules Based on Surface-Enhanced Raman Spectroscopy and Molecular Docking Techniques 期刊论文  OAI收割 INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2024, 卷号: 25, 期号: 7 作者:  Li, Yanjie   |  收藏  |  浏览/下载：48/0  |  提交时间：2024/07/18 SERS  molecular docking method  drug molecule  binding site  competitive mechanism   Meta-MolNet: A Cross-Domain Benchmark for Few Examples Drug Discovery 期刊论文  OAI收割 IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS, 2024, 页码: 15 作者:  Lv, Qiujie;  Chen, Guanxing;  Yang, Ziduo;  Zhong, Weihe;  Chen, Calvin Yu-Chian   |  收藏  |  浏览/下载：45/0  |  提交时间：2024/04/09 Benchmark platform  cross-domain meta-learning  drug discovery  few examples  Meta-MolNet  molecular property   The emergence of machine learning force fields in drug design 期刊论文  OAI收割 MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36 作者:  Chen, Mingan;  Jiang, Xinyu;  Zhang, Lehan;  Chen, Xiaoxu;  Wen, Yiming   |  收藏  |  浏览/下载：41/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   ETCM v2.0: An update with comprehensive resource and rich annotations for traditional Chinese medicine 期刊论文  OAI收割 ACTA PHARMACEUTICA SINICA B, 2023, 卷号: 13, 期号: 6, 页码: 2559-2571 作者:  Zhang, Yanqiong;  Li, Xin;  Shi, Yulong;  Chen, Tong;  Xu, Zhijian   |  收藏  |  浏览/下载：80/0  |  提交时间：2023/10/17 Traditional Chinese medicine  Database  Target identification  Network visualization  New drug research and development  Molecular mechanism  Quality marker  Drug repurposing   Discovery of HCD3514 as a potent EGFR inhibitor against C797S mutation in vitro and in vivo 期刊论文  OAI收割 JOURNAL OF CANCER, 2023, 卷号: 14, 期号: 1, 页码: 152-162 作者:  Lai, Mengzhen;  Zhang, Tao;  Chen, Hao;  Song, Peiran;  Tong, Linjiang   |  收藏  |  浏览/下载：144/0  |  提交时间：2023/04/10 fourth-generation EGFR inhibitor  EGFRC797S mutation  NSCLC  drug resistance  small molecular inhibitor   Editorial: Pharmacokinetics of herbal medicines and herb-drug interactions 期刊论文  OAI收割 FRONTIERS IN PHARMACOLOGY, 2022, 卷号: 13, 页码: 3 作者:  Jia, Wei-Wei;  Lu, Chuang;  Lin, Ge;  Ge, Guang-Bo   |  收藏  |  浏览/下载：42/0  |  提交时间：2023/04/10 herbal medicine  pharmacokinetics  drug combination  drug interaction  molecular mechanism  drug transporter  drug-metabolizing enzyme   Key Considerations in Targeted Protein Degradation Drug Discovery and Development 期刊论文  OAI收割 FRONTIERS IN CHEMISTRY, 2022, 卷号: 10 作者:  Qin, Liena;  Dai, Han;  Wang, Junfeng   |  收藏  |  浏览/下载：59/0  |  提交时间：2022/12/23 targeted protein degradation  PROTAC  molecular glue  chemically induced proximity  drug discovery and development