机构

• 上海药物研究所 [13]
• 化学研究所 [3]
• 上海营养与健康研究所 [3]
• 大连化学物理研究所 [2]
• 数学与系统科学研究院 [1]
• 武汉物理与数学研究所 [1]
• 更多

采集方式

• OAI收割 [26]

内容类型

• 期刊论文 [26]

发表日期

• 2024 [1]
• 2022 [1]
• 2021 [2]
• 2020 [2]
• 2019 [2]
• 2018 [1]
• 更多

学科主题

• Computer S... [2]
• Life Scien... [2]
• Biochemist... [1]
• Biophysics [1]

筛选

浏览/检索结果: 共26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提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Interaction-Based Inductive Bias in Graph Neural Networks: Enhancing Protein-Ligand Binding Affinity Predictions From 3D Structures 期刊论文  OAI收割 IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE, 2024, 卷号: 46, 期号: 12, 页码: 8191-8208 作者:  Yang, Ziduo;  Zhong, Weihe;  Lv, Qiujie;  Dong, Tiejun;  Chen, Guanxing   |  收藏  |  浏览/下载：12/0  |  提交时间：2025/01/14 Proteins  Programmable logic arrays  Three-dimensional displays  Predictive models  Graph neural networks  Data models  Convolution  Protein-ligand binding affinity  graph neural networks  inductive bias  drug-target interaction  structure-based virtual screening   Recent progress in fragment-based drug discovery facilitated by NMR spectroscopy 期刊论文  OAI收割 Magnetic Resonance Letters, 2022, 卷号: 2, 期号: 2, 页码: 107-118 作者:  Wang, Lei;  Gao, Jia;  Ma, Rongsheng;  Liu, Yaqian;  Liu, Mingqing   |  收藏  |  浏览/下载：23/0  |  提交时间：2024/03/14 Fragment-based lead/drug discovery  NMR spectroscopy  Protein-ligand interaction  Complex structure  Hit-to-lead evolution   Site-specific protein modification by 3-n-butylphthalide in primary hepatocytes: Covalent protein adducts diminished by glutathione and N-acetylcysteine 期刊论文  OAI收割 LIFE SCIENCES, 2021, 卷号: 287, 页码: 14 作者:  Xue, Yaru;  Ren, Xuelian;  Zhu, Zhengdan;  Lei, Peng;  Liu, Mengling   |  收藏  |  浏览/下载：63/0  |  提交时间：2022/01/18 3-n-butylphthalide  Hepatotoxicity  Oxidative stresses  Covalent protein modification  Drug-drug interaction   Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds 期刊论文  OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10 作者:  Qian, Ying;  Li, Xuelian;  Wu, Jian;  Zhou, Aimin;  Xu, Zhijian   |  收藏  |  浏览/下载：87/0  |  提交时间：2022/01/04 compound-protein interaction  convolutional neural network (CNN)  drug-drug interaction  image processing  structural images   Leflunomide increased the renal exposure of acyclovir by inhibiting OAT1/3 and MRP2 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2020, 卷号: 41, 期号: 1, 页码: 129-137 作者:  Liao, Xiao-ying;  Deng, Qiang-qiang;  Han, Li;  Wu, Zhi-tao;  Peng, Zhao-liang   |  收藏  |  浏览/下载：30/0  |  提交时间：2020/07/01 leflunomide  teriflunomide  acyclovir  organic anion transporter  multidrug resistance associated protein (MRP) 2  drug-drug interaction  pharmacokinetics   Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms 期刊论文  OAI收割 LETTERS IN DRUG DESIGN & DISCOVERY, 2020, 卷号: 17, 期号: 5, 页码: 556-562 作者:  Zhao, Yuhao;  Pang, Xiaokun;  Nepal, Akriti;  Jiang, Xincan;  Xu, Xiaoxin   |  收藏  |  浏览/下载：33/0  |  提交时间：2020/06/22 Drug target  drug-protein interaction  in silico prediction  osteoimmunological  PASS prediction  CAPE   DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening 期刊论文  OAI收割 GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 17, 期号: 5, 页码: 478-495 作者:  Wan, Fangping;  Zhu, Yue;  Hu, Hailin;  Dai, Antao;  Cai, Xiaoqing   |  收藏  |  浏览/下载：86/0  |  提交时间：2020/07/01 Deep learning  Machine learning  Drug discovery  In silico drug screening  Compound-protein interaction prediction   deepcpiadeeplearningbasedframeworkforlargescaleinsilicodrugscreening 期刊论文  OAI收割 genomicsproteomicsbioinformatics, 2019, 卷号: 17, 期号: 5, 页码: 478 作者:  Wan Fangping;  Zhu Yue;  Hu Hailin;  Dai Antao;  Cai Xiaoqing   |  收藏  |  浏览/下载：27/0  |  提交时间：2020/07/01 Deep learning  Machine learning  Drug discovery  Compound–protein interaction prediction   artificialintelligenceindrugdesign 期刊论文  OAI收割 sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191 作者:  Zhong Feisheng;  Xing Jing;  Li Xutong;  Liu Xiaohong;  Fu Zunyun   |  收藏  |  浏览/下载：24/0  |  提交时间：2020/07/01 PROTEIN-PROTEIN-INTERACTION  MACHINE LEARNING-METHODS  COMPUTATIONAL METHODS  MOLECULAR-PROPERTIES  INTERACTION NETWORKS  NEURAL-NETWORKS  PREDICTION  DOCKING  DISCOVERY  PERMEABILITY  drug design  artificial intelligence  deep learning  QSAR  ADME/T   Analysis and prediction of drug-drug interaction by minimum redundancy maximum relevance and incremental feature selection 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017, 卷号: 35, 期号: 2, 页码: 312-329 作者:  Liu, Lili;  Chen, Lei;  Zhang, Yu-Hang;  Wei, Lai;  Cheng, Shiwen   |  收藏  |  浏览/下载：26/0  |  提交时间：2019/01/08 Drug-drug interaction  drug-target interaction  chemical interaction  protein interaction  minimum redundancy maximum relevance  incremental feature selection