机构

• 上海药物研究所 [30]
• 广州生物医药与健康研... [2]
• 动物研究所 [1]
• 云南天文台 [1]

采集方式

• OAI收割 [34]

内容类型

• 期刊论文 [34]

发表日期

• 2025 [3]
• 2024 [5]
• 2023 [4]
• 2022 [5]
• 2021 [7]
• 2020 [7]
• 更多

学科主题

• General & ... [2]
• Respirator... [2]
• 化学工程 [1]
• 计算机科学技术 [1]

筛选

浏览/检索结果: 共34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 Chat-microreactor: A large-language-model-based assistant for designing continuous flow systems 期刊论文  OAI收割 CHEMICAL ENGINEERING SCIENCE, 2025, 卷号: 311 作者:  Pan, Yongqi;  Xiao, Qinfan;  Zhao, Fangyu;  Li ZH(李振豪);  Liu, Jianyang   |  收藏  |  浏览/下载：17/0  |  提交时间：2025/04/21 Flow chemistry  Microreactor  Large language models  Machine learning  Multi-phase dispersion   Prediction of Solvate Based on Graph Attention Network 期刊论文  OAI收割 CRYSTAL GROWTH & DESIGN, 2025, 卷号: 25, 期号: 2, 页码: 297-308 作者:  Sun, Shihui;  Wang, Jian-Rong;  Tang, Lei;  Fan, Zhehuan;  Li, Xutong   |  收藏  |  浏览/下载：7/0  |  提交时间：2025/04/01 Targeted Degradation of SOS1 Exhibits Potent Anticancer Activity and Overcomes Resistance in KRAS-Mutant Tumors and BCR-ABL-Positive Leukemia 期刊论文  OAI收割 CANCER RESEARCH, 2025, 卷号: 85, 期号: 1, 页码: 101-117 作者:  Luo, Ziwei;  Lin, Chencen;  Yu, Chuwei;  Yuan, Changxian;  Wu, Wenyong   |  收藏  |  浏览/下载：11/0  |  提交时间：2025/02/28 Prediction of Multi-Pharmacokinetics Property in Multi-Species: Bayesian Neural Network Stacking Model with Uncertainty 期刊论文  OAI收割 MOLECULAR PHARMACEUTICS, 2024, 页码: 16 作者:  Zhang, Yuanyuan;  Xie, Zhiyin;  Xiao, Fu;  Yu, Jie;  Fan, Zhehuan   |  收藏  |  浏览/下载：4/0  |  提交时间：2024/12/11 pharmacokinetic parameters  machine learning  uncertainty  stacking  multitask learning  ADME   Gram matrix: an efficient representation of molecular conformation and learning objective for molecular pretraining 期刊论文  OAI收割 BRIEFINGS IN BIOINFORMATICS, 2024, 卷号: 25, 期号: 4, 页码: 13 作者:  Xiang, Wenkai;  Zhong, Feisheng;  Ni, Lin;  Zheng, Mingyue;  Li, Xutong   |  收藏  |  浏览/下载：16/0  |  提交时间：2024/09/26 gram matrix  graph transformer  molecular property prediction   Highly accurate carbohydrate-binding site prediction with DeepGlycanSite 期刊论文  OAI收割 NATURE COMMUNICATIONS, 2024, 卷号: 15, 期号: 1, 页码: 13 作者:  He, Xinheng;  Zhao, Lifen;  Tian, Yinping;  Li, Rui;  Chu, Qinyu   |  收藏  |  浏览/下载：11/0  |  提交时间：2024/08/20 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：32/0  |  提交时间：2024/03/25 GABA(A )receptor  Benzodiazepine  Agonist  Machine learning  Classification   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   |  收藏  |  浏览/下载：14/0  |  提交时间：2024/05/07 kinome profiling  kinase inhibitors  polypharmacology  deep learning  meta-learning   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：23/0  |  提交时间：2024/03/26 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：43/0  |  提交时间：2023/10/17 logD7.4  Lipid solubility  Graph neural network  Molecular property prediction