机构

• 上海药物研究所 [15]
• 广州能源研究所 [7]
• 宁波材料技术与工程研... [3]
• 生态环境研究中心 [3]
• 化学研究所 [2]
• 成都山地灾害与环境研... [1]
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采集方式

• OAI收割 [35]

内容类型

• 期刊论文 [35]

发表日期

• 2025 [1]
• 2024 [6]
• 2023 [5]
• 2022 [1]
• 2021 [10]
• 2020 [5]
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学科主题

• Computer S... [1]
• Engineerin... [1]
• Geology [1]
• Imaging Sc... [1]
• Physical G... [1]
• Radiology,... [1]
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筛选

浏览/检索结果: 共35条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择发表日期升序发表日期降序题名升序题名降序提交时间升序提交时间降序作者升序作者降序 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:     |  收藏  |  浏览/下载：6/0  |  提交时间：2025/07/25 miCGR: interpretable deep neural network for predicting both site-level and gene-level functional targets of microRNA 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 26, 期号: 1, 页码: 13 作者:     |  收藏  |  浏览/下载：15/0  |  提交时间：2024/12/25 MicroRNA  target prediction  chaos game representation  deep learning  convolutional neural network   Identifying compound-protein interactions with knowledge graph embedding of perturbation transcriptomics 期刊论文  OAI收割 CELL GENOMICS, 2024, 卷号: 4, 期号: 10, 页码: 100655 作者:  Ni, Shengkun;  Kong, Xiangtai;  Zhang, Yingying;  Chen, Zhengyang;  Wang, Zhaokun   |  收藏  |  浏览/下载：17/0  |  提交时间：2025/06/04 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   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：31/0  |  提交时间：2024/07/12 Design and synthesis of cantharidin derivative DCZ5418 as a TRIP13 inhibitor with anti-multiple myeloma activity in vitro and in vivo 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2024, 卷号: 98, 页码: 7 作者:  Dong, Sanfeng;  Hu, Ke;  Shi, Yulong;  Wang, Guanli;  Yu, Dandan   |  收藏  |  浏览/下载：36/0  |  提交时间：2024/02/19 Multiple myeloma  TRIP13 inhibitor  Cantharidin  DCZ5418  DCZ0415   KinomeMETA: meta-learning enhanced kinome-wide polypharmacology profiling 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 1, 页码: 15 作者:  Ren, Qun;  Qu, Ning;  Sun, Jingjing;  Zhou, Jingyi;  Liu, Jin   |  收藏  |  浏览/下载：32/0  |  提交时间：2024/05/07 kinome profiling  kinase inhibitors  polypharmacology  deep learning  meta-learning   Design, synthesis and biological evaluation of chalcone derivatives as potent and orally active hCYP3A4 inhibitors 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2023, 卷号: 95, 页码: 9 作者:  Lu, Shiwei;  Zhang, Feng;  Gong, Jiahao;  Huang, Jian;  Zhu, Guanghao   |  收藏  |  浏览/下载：38/0  |  提交时间：2023/12/08 Cytochrome P450 3A4 (CYP3A4)  Inhibitors  Isoquinoline chalcones  Orally active   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：56/0  |  提交时间：2023/10/17 logD7.4  Lipid solubility  Graph neural network  Molecular property prediction   Design, synthesis and biological evaluation of salicylanilides as novel allosteric inhibitors of human pancreatic lipase 期刊论文  OAI收割 BIOORGANIC & MEDICINAL CHEMISTRY, 2023, 卷号: 91, 页码: 11 作者:  Zhao, Yitian;  Zhang, Min;  Hou, Xudong;  Han, Jiaxin;  Qin, Xiaoya   |  收藏  |  浏览/下载：46/0  |  提交时间：2023/10/17 Salicylanilide  hPL inhibitor  Structure -activity relationship  Anti -obesity