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兰州大学机构库
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EDC-DTI: An end-to-end deep collaborative learning model based on multiple information for drug-target interactions prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 122
Authors:  Yuan, YN(袁永娜);  Zhang, Yuhao;  Meng, Xiangbo;  Liu, Zhenyu;  Wang, Bohan;  Miao, Ruidong;  Zhang, RS(张瑞生);  Su, W(苏伟);  Liu, Lei
Favorite  |    Submit date：2023/05/25
Classification (of information)  Decoding  Deep learning  Drug interactions  Heterogeneous networks  Learning systems  Collaborative learning model  Deep learning  Drug-target interactions  Drug–target interaction prediction  End to end  Graph attention network  Heterogeneous information  Interaction prediction  Model-based OPC  Predictive performance  
EDC-DTI: An end-to-end deep collaborative learning model based on multiple information for drug-target interactions prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 122
Authors:  Yuan, YN(袁永娜);  Zhang, Yuhao;  Meng, Xiangbo;  Liu, Zhenyu;  Wang, Bohan;  Miao, Ruidong;  Zhang, RS(张瑞生);  Su, W(苏伟);  Liu, Lei
Favorite  |    Submit date：2023/07/18
Classification (of information)  Decoding  Deep learning  Drug interactions  Heterogeneous networks  Learning systems  Collaborative learning model  Deep learning  Drug-target interactions  Drug–target interaction prediction  End to end  Graph attention network  Heterogeneous information  Interaction prediction  Model-based OPC  Predictive performance  
NoiseMol: A noise-robusted data augmentation via perturbing noise for molecular property prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 121
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Yuan, YN(袁永娜);  Li, Tongfeng;  Li, Gaili;  Zhao, ZL(赵志立);  Yu, Zhixuan
Favorite  |    Submit date：2023/05/25
Perturbing noise  SMILES  Data augmentation  Molecular property prediction  
NoiseMol: A noise-robusted data augmentation via perturbing noise for molecular property prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 121
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Yuan, YN(袁永娜);  Li, Tongfeng;  Li, Gaili;  Zhao, ZL(赵志立);  Yu, Zhixuan
Favorite  |    Submit date：2023/05/25
Deep learning  Forecasting  Data augmentation  Entry system  Molecular properties  Molecular property prediction  Molecular representations  Perturbing noise  Property  Property predictions  Representation method  Simplified molecular-input line-entry system  
NoiseMol: A noise-robusted data augmentation via perturbing noise for molecular property prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 121
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Yuan, YN(袁永娜);  Li, Tongfeng;  Li, Gaili;  Zhao, ZL(赵志立);  Yu, Zhixuan
Favorite  |    Submit date：2023/07/18
Deep learning  Forecasting  Data augmentation  Entry system  Molecular properties  Molecular property prediction  Molecular representations  Perturbing noise  Property  Property predictions  Representation method  Simplified molecular-input line-entry system  
TranGRU: focusing on both the local and global information of molecules for molecular property prediction 期刊论文
APPLIED INTELLIGENCE, 2023, 卷号: 53, 期号: 12, 页码: 15246-15260
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Ma, Jun;  Liu, Yunwu;  Yang, Enjie;  Du, Shikang;  Zhao, ZL(赵志立);  Yuan, YN(袁永娜)
Favorite  |    Submit date：2023/07/18
Encoding (symbols)  Forecasting  Recurrent neural networks  Bi-directional  Fusion model  Global informations  Local information  Molecular information  Molecular properties  Molecular property prediction  Performance  Property predictions  State-of-the-art methods  
MolRoPE-BERT: An enhanced molecular representation with Rotary Position Embedding for molecular property prediction 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2023, 卷号: 118
Authors:  Liu, Yunwu;  Zhang, RS(张瑞生);  Li, Tongfeng;  Jiang, Jing;  Ma, Jun;  Wang, Ping
Favorite  |    Submit date：2023/01/03
Deep learning  Transfer learning  Molecular representation  Rotary Position Embedding  Molecular property prediction  
A deep learning method for predicting molecular properties and compound-protein interactions 期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2022, 卷号: 117
Authors:  Ma, Jun;  Zhang, RS(张瑞生);  Li, Tongfeng;  Jiang, Jing;  Zhao, ZL(赵志立);  Liu, Yunwu;  Ma, Jun;  Ma, Jun;  Li, Tongfeng
Favorite  |    Submit date：2022/11/08
Deep learning  Forecasting  Learning systems  Proteins  Structural design  Structural properties  Compound-protein interaction prediction  Deep learning  Interaction prediction  Molecular graphs  Molecular properties  Molecular property prediction  Property predictions  Protein interaction  Protein sequences  Smile/protein sequence  
TranGRU: focusing on both the local and global information of molecules for molecular property prediction 期刊论文
APPLIED INTELLIGENCE, 2022
Authors:  Jiang, Jing;  Zhang, RS(张瑞生);  Ma, Jun;  Liu, Yunwu;  Yang, Enjie;  Du, Shikang;  Zhao, ZL(赵志立);  Yuan, YN(袁永娜)
Favorite  |    Submit date：2023/01/03
Local information  Global information  Fusion model  Molecular property prediction  
Quantum Chemical Calculations with Machine Learning for Multipolar Electrostatics Prediction in RNA: An Application to Pentose 期刊论文
Journal of Chemical Information and Modeling, 2022, 卷号: 62, 期号: 17, 页码: 4122-4133
Authors:  Yuan, YN(袁永娜);  Yan, Haoqiu;  Cui, Zeyang;  Liu, Zhenyu;  Su, W(苏伟);  Zhang, RS(张瑞生)
Favorite  |    Submit date：2022/11/08
Atoms  Bioinformatics  Electrostatics  Forecasting  Learning systems  Quantum chemistry  Radial basis function networks  RNA  Atomic multipole moments  Average energy  Electrostatic interaction energy  Energy error  Kriging  Machine-learning  Multipole moments  Prediction errors  Quantum chemical calculations  Quantum-chemical calculation