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浏览/检索结果: 共188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发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Machine learning prediction for constructing a universal multidimensional information library of Panax saponins (ginsenosides) 期刊论文  OAI收割 FOOD CHEMISTRY, 2024, 卷号: 439, 页码: 10 作者:  Wang, Hongda;  Zhang, Lin;  Li, Xiaohang;  Sun, Mengxiao;  Jiang, Meiting   |  收藏  |  浏览/下载：10/0  |  提交时间：2024/02/19 Retention time  Collision cross section  Machine learning  Multidimensional information library  Hierarchical design   Comprehensively assessing priority odorants emitted from swine slurry combining nontarget screening with olfactory threshold prediction 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2024, 卷号: 917, 页码: 170428 作者:  Cheng, Yuan;  Chen, Tongbin;  Zheng, Guodi;  Yang, Junxing;  Yu, Bao   |  收藏  |  浏览/下载：17/0  |  提交时间：2024/04/08 Priority pollutants  Volatile organic compounds  Odor  Structure-odor relationship  Machine learning   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：16/0  |  提交时间：2024/04/09 Benchmark platform  cross-domain meta-learning  drug discovery  few examples  Meta-MolNet  molecular property   Entanglement Generation of Polar Molecules via Deep Reinforcement Learning 期刊论文  OAI收割 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2024 作者:  Zhang, Zuo-Yuan;  Sun, Zhaoxi;  Duan, Tao;  Ding, Yi-Kai;  Huang, Xinning   |  收藏  |  浏览/下载：57/0  |  提交时间：2024/03/26 Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods 期刊论文  OAI收割 CHINESE CHEMICAL LETTERS, 2024, 卷号: 35, 期号: 2, 页码: 6 作者:  Zhu, Yingli   |  收藏  |  浏览/下载：12/0  |  提交时间：2024/01/26 Theranostic probe  Artificial intelligence  Conformational restriction  Fluorescence restoration  Design strategy   Application of ensemble learning for predicting GABAA receptor agonists 期刊论文  OAI收割 COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13 作者:  Xiao, Fu;  Ding, Xiaoyu;  Shi, Yan;  Wang, Dingyan;  Wang, Yitian   |  收藏  |  浏览/下载：12/0  |  提交时间：2024/03/25 GABA(A )receptor  Benzodiazepine  Agonist  Machine learning  Classification   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：15/0  |  提交时间：2024/02/19 computational chemistry  drug design  force field  machine learning  molecular modeling   Discovery of hematopoietic progenitor kinase 1 inhibitors using machine learning-based screening and free energy perturbation 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2024, 页码: 13 作者:  Feng, Dazhi;  Liu, Bo;  Chen, Zhiwei;  Xu, Jinyi;  Geng, Meiyu   |  收藏  |  浏览/下载：25/0  |  提交时间：2024/02/27 HPK1 inhibitor  machine learning  virtual screening  free energy perturbation  structural modification   Machine learning and experimental screening of chromatin regulator signatures and potential drugs in hepatitis B related hepatocellular carcinoma 期刊论文  OAI收割 JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2023, 页码: 15 作者:  Jia, Caixia;  Chen, Jianxin;  Wang, Xueting;  Yang, Xingliang;  Wu, Hongxing   |  收藏  |  浏览/下载：5/0  |  提交时间：2024/01/18 Chromatin regulators  hepatitis B related HCC  immune  HepG2.2.15  potential drugs  resveratrol   High-throughput design of energetic molecules 期刊论文  OAI收割 JOURNAL OF MATERIALS CHEMISTRY A, 2023, 卷号: 11, 期号: 45, 页码: 25031-25044 作者:  Liu, Jian;  Zhao, Shicao;  Duan, Bowen;  He, Xudong;  Yang, Chunming   |  收藏  |  浏览/下载：4/0  |  提交时间：2023/12/19