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Sequence-based drug design as a concept in computational drug design 期刊论文
NATURE COMMUNICATIONS, 2023, 卷号: 14, 期号: 1
作者:  
Adobe PDF(3338Kb)  |  收藏  |  浏览/下载：550/184  |  提交时间：2023/08/21
Drug target inference by mining transcriptional data using a novel graph convolutional network framework 期刊论文
PROTEIN & CELL, 2022
作者:  Zhong, Feisheng;  Wu, Xiaolong;  Yang, Ruirui;  Li, Xutong;  Wang, Dingyan
Adobe PDF(3167Kb)  |  收藏  |  浏览/下载：447/0  |  提交时间：2021/11/05
Discovery of Pyrazolo[3,4-d]pyridazinone Derivatives as Selective DDR1 Inhibitors via Deep Learning Based Design, Synthesis, and Biological Evaluation 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2022, 卷号: 65, 期号: 1
作者:  Tan, Xiaoqin;  Li, Chunpu;  Yang, Ruirui;  Zhao, Sen;  Li, Fei
Adobe PDF(12500Kb)  |  收藏  |  浏览/下载：309/0  |  提交时间：2022/03/23
DrugSpaceX: a large screenable and synthetically tractable database extending drug space 期刊论文
NUCLEIC ACIDS RESEARCH, 2021, 卷号: 49, 期号: D1, 页码: #VALUE!
作者:  Yang, Tianbiao;  Li, Zhaojun;  Chen, Yingjia;  Feng, Dan;  Wang, Guangchao
Adobe PDF(2718Kb)  |  收藏  |  浏览/下载：327/0  |  提交时间：2021/04/01
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:  Li, Xutong;  Li, Zhaojun;  Wu, Xiaolong;  Xiong, Zhaoping;  Yang, Tianbiao
Adobe PDF(5789Kb)  |  收藏  |  浏览/下载：80/0  |  提交时间：2022/11/08
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments 期刊论文
BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414
作者:  Chen, Lifan;  Tan, Xiaoqin;  Wang, Dingyan;  Zhong, Feisheng;  Liu, Xiaohong
Adobe PDF(483Kb)  |  收藏  |  浏览/下载：269/0  |  提交时间：2021/04/01
Revisiting Aldehyde Oxidase Mediated Metabolism in Drug-like Molecules: An Improved Computational Model 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 12, 页码: 6523-6537
作者:  Zhao, Jihui;  Cui, Rongrong;  Wang, Lihao
Adobe PDF(5726Kb)  |  收藏  |  浏览/下载：320/0  |  提交时间：2020/07/20
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