兰州大学机构库

Browse/Search Results:  1-10 of 20 Help

Selected(0)Clear Items/Page:    Sort:
RetroPrime: A Diverse, plausible and Transformer-based method for Single-Step retrosynthesis predictions 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2021, 卷号: 420
Authors:  Wang, Xiaorui;  Li, Yuquan;  Qiu, Jiezhong;  Chen, Guangyong;  Liu, HX(刘焕香);  Liao, Benben;  Hsieh, Chang-Yu;  Yao, XJ(姚小军)
Favorite  |  View/Download:31/0  |  Submit date:2021/08/12
Deep Learning  Natural Language Processing  Template-free Single-Step Retrosynthesis  
Introducing block design in graph neural networks for molecular properties prediction 期刊论文
Chemical Engineering Journal, 2021, 卷号: 414
Authors:  Li, Yuquan;  Li, Pengyong;  Yang, Xing;  Hsieh, Chang-Yu;  Zhang, Shengyu;  Wang, Xiaorui;  Lu, Ruiqiang;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
Favorite  |  View/Download:55/0  |  Submit date:2021/04/16
Deep learning  Graph algorithms  Large dataset  Learning systems  Neural networks  Quantum theory  Approximate solution  Bioactivity prediction  Graph neural networks  Learning process  Machine learning methods  Many-body quantum systems  Mean absolute error  Molecular properties  
Discovery of novel IDO1 inhibitors via structure-based virtual screening and biological assays 期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2021, 卷号: 35, 期号: 5, 页码: 679-694
Authors:  Ge, Huizhen;  Mao, Longfei;  Zhao, Jie;  Wang, Yuwei;  Shi, Danfeng;  Yang, Xing;  Wang, Xiaorui;  Liu, HX(刘焕香);  Yao, XJ(姚小军)
Favorite  |  View/Download:22/0  |  Submit date:2021/06/17
IDO1 inhibitorVirtual screeningMolecular dockingMolecular dynamics simulationsMM-GBSA calculation  
Enhanced thermal stability of lead-free (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO(3)ferroelectric ceramics 期刊论文
JOURNAL OF MATERIALS SCIENCE, 2020
Yang, Yang; Wang, Wentao; Chen, Xiaorui; Wang, Yue; Gao, Daqiang; Xue, Desheng
Favorite  |  View/Download:2/0
Enhanced thermal stability of lead-free (1-x)Ba(Zr0.2Ti0.8)O-3-x(Ba0.7Ca0.3)TiO(3)ferroelectric ceramics 期刊论文
JOURNAL OF MATERIALS SCIENCE, 2020, 卷号: 55, 期号: 36, 页码: 16890-16899
Authors:  Yang, Yang;  Wang, Wentao;  Chen, Xiaorui;  Wang, Yue;  Gao, DQ(高大强);  Xue, DS(薛德胜)
Favorite  |  View/Download:13/0  |  Submit date:2020/12/16
Impacts of Two East Asian Atmospheric Circulation Modes on Black Carbon Aerosol Over the Tibetan Plateau in Winter 期刊论文
JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES, 2020, 卷号: 125, 期号: 12
Authors:  Yuan, Tiangang;  Chen, SY(陈思宇);  Wang, Lin;  Yang, Yaoxian;  Bi, Hongru;  Zhang, Xiaorui;  Zhang, Yue
Adobe PDF(8778Kb)  |  Favorite  |  View/Download:22/0  |  Submit date:2020/08/29
black carbon  East Asian winter monsoon  Tibetan Plateau  transport  WRF-Chem  
Non-cosine square angular-dependent magnetoresistance of the face-centered-cubic Co thin films 期刊论文
Journal of Magnetism and Magnetic Materials, 2020, 卷号: 512
Authors:  Miao, Yu;  Chen, Xiaorui;  Yang, Shuanglong;  Zheng, Kun;  Lian, Zhongyuan;  Wang, Yongzuo;  Wang, Pengju;  Gao, CX(高存绪);  Yang, DZ(杨德政);  Xue, DS(薛德胜)...Miao, Yu;  Chen, Xiaorui;  Yang, Shuanglong;  Zheng, Kun;  Lian, Zhongyuan;  Wang, Yongzuo;  Wang, Pengju;  Gao, CX(高存绪);  Yang, DZ(杨德政);  Xue, DS(薛德胜)
Favorite  |  View/Download:25/0  |  Submit date:2020/07/07
Non-cosine square angular-dependent magnetoresistance of the face-centered-cubic Co thin films 期刊论文
Journal of Magnetism and Magnetic Materials, 2020
Miao, Yu; Chen, Xiaorui; Yang, Shuanglong; Zheng, Kun; Lian, Zhongyuan; Wang, Yongzuo; Wang, Pengju; Gao, Cunxu; Yang, De-Zheng; Xue, De-Sheng
Favorite  |  View/Download:2/0
Alkylation of Benzene by Methanol: Thermodynamics Analysis for Designing and Designing for Enhancing the Selectivity of Toluene and Para-Xylene 期刊论文
CATALYSIS LETTERS, 2019, 卷号: 149, 期号: 1, 页码: 248-258
Authors:  Dong, Peng;  Li, Zeyu;  Wang, Dongliang;  Wang, Xiaorui;  Guo, Yongqi;  Li, Guixian;  Zhang, Dongqiang
Favorite  |  View/Download:3/0  |  Submit date:2019/10/24
Benzene alkylation  OX  EB and TMB suppression  Ru  HZSM-5  Catalyst stability  Thermodynamics analysis  
Differences in Sulfate Aerosol Radiative Forcing between the Daytime and Nighttime over East Asia Using the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) Model 期刊论文
ATMOSPHERE, 2018, 卷号: 9, 期号: 11
Authors:  Zhang, Hongyue;  Chen, SY(陈思宇);  Jiang, Nanxuan;  Wang, X(王鑫);  Zhang, Xiaorui;  Liu, Jian;  Zang, Zhou;  Wu, Dongyou;  Yuan, Tiangang;  Luo, Yuan...Zhang, Hongyue;  Chen, SY(陈思宇);  Jiang, Nanxuan;  Wang, X(王鑫);  Zhang, Xiaorui;  Liu, Jian;  Zang, Zhou;  Wu, Dongyou;  Yuan, Tiangang;  Luo, Yuan;  Zhao, Dan
Favorite  |  View/Download:13/0  |  Submit date:2019/10/25
sulfate aerosols  direct radiative forcing induced by sulfate aerosols  WRF-Chem model  maximum surface temperature  minimum surface temperature  diurnal temperature range