中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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浏览/检索结果: 共63条,第1-10条 帮助

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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:17/0  |  提交时间:2025/04/01
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
  |  收藏  |  浏览/下载:13/0  |  提交时间:2024/12/11
Reducing overconfident errors in molecular property classification using Posterior Network 期刊论文  OAI收割
PATTERNS, 2024, 卷号: 5, 期号: 6, 页码: 100991
作者:  
Fan, Zhehuan;  Yu, Jie;  Zhang, Xiang;  Chen, Yijie;  Sun, Shihui
  |  收藏  |  浏览/下载:3/0  |  提交时间:2025/06/04
Generic protein-ligand interaction scoring by integrating physical prior knowledge and data augmentation modelling 期刊论文  OAI收割
NATURE MACHINE INTELLIGENCE, 2024, 页码: 21
作者:  
Cao, Duanhua;  Chen, Geng;  Jiang, Jiaxin;  Yu, Jie;  Zhang, Runze
  |  收藏  |  浏览/下载:27/0  |  提交时间:2024/07/12
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:30/0  |  提交时间:2024/03/26
Outstanding molten calcium-magnesium-aluminosilicate (CMAS) corrosion resistance of directionally solidified Al2O3/Y3Al5O12 eutectic ceramic at 1500 & DEG;C 期刊论文  OAI收割
CORROSION SCIENCE, 2023, 卷号: 220, 页码: 10
作者:  
Sun, Haofei;  Sun, Luchao;  Ren, Xiaomin;  Zhou, Cui;  Li, Jie
  |  收藏  |  浏览/下载:9/0  |  提交时间:2024/01/07
Sequence-based drug design as a concept in computational drug design 期刊论文  OAI收割
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1, 页码: 21
作者:  
Chen, Lifan;  Fan, Zisheng;  Chang, Jie;  Yang, Ruirui;  Hou, Hui
  |  收藏  |  浏览/下载:60/0  |  提交时间:2023/10/17
Rare Earth Silicate Environmental Barrier Coating Material: High-Entropy Design and Resistance to CMAS Corrosion 期刊论文  OAI收割
ACTA METALLURGICA SINICA, 2023, 卷号: 59, 期号: 4, 页码: 523-536
作者:  
Wang Jingyang;  Sun Luchao;  Luo Yixiu;  Tian Zhilin;  Ren Xiaomin
  |  收藏  |  浏览/下载:17/0  |  提交时间:2024/01/07
Improved Soil Organic Carbon Prediction in a Forest Area by Near-Infrared Spectroscopy: Spiking of a Soil Spectral Library 期刊论文  OAI收割
FORESTS, 2023, 卷号: 14, 期号: 1, 页码: 16
作者:  
Long, Miao;  Yue, Tianxiang;  Xu, Zhe;  Guo, Jiaxin;  Luo, Jie
  |  收藏  |  浏览/下载:35/0  |  提交时间:2023/03/03
Composition effects on elastic, thermal and corrosion properties of multiple-RE silicate (Ho1/4Er1/4Yb1/4Lu1/4)2SiO5 as a promising thermal and environmental barrier coating material 期刊论文  OAI收割
JOURNAL OF THE EUROPEAN CERAMIC SOCIETY, 2022, 卷号: 42, 期号: 15, 页码: 7258-7266
作者:  
Ren, Xiaomin;  Zhang, Jie;  Wang, Jingyang
  |  收藏  |  浏览/下载:26/0  |  提交时间:2023/05/09