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CORC

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Generative Models for De Novo Drug Design 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 19, 页码: 14011-14027
作者:  Tong, Xiaochu;  Liu, Xiaohong;  Tan, Xiaoqin;  Li, Xutong;  Jiang, Jiaxin
收藏  |  浏览/下载：19/0  |  提交时间：2021/12/16
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: D1170-D1178
作者:  Yang, Tianbiao;  Li, Zhaojun;  Chen, Yingjia;  Feng, Dan;  Wang, Guangchao
收藏  |  浏览/下载：54/0  |  提交时间：2021/05/24
Automated design and optimization of multitarget schizophrenia drug candidates by deep learning 期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16
作者:  Tan, Xiaoqin;  Jiang, Xiangrui;  He, Yang;  Zhong, Feisheng;  Li, Xutong
收藏  |  浏览/下载：33/0  |  提交时间：2020/12/21
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
收藏  |  浏览/下载：25/0  |  提交时间：2020/12/21
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
收藏  |  浏览/下载：22/0  |  提交时间：2020/12/21
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
收藏  |  浏览/下载：17/0  |  提交时间：2021/05/24
Discovery of novel glyceraldehyde-3-phosphate dehydrogenase inhibitor via docking-based virtual screening 期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 96, 页码: 10
作者:  Li, Ting;  Tan, Xiaoqin;  Yang, Ruirui;  Miao, Ying;  Zhang, Min
收藏  |  浏览/下载：23/0  |  提交时间：2020/07/01
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules 期刊论文
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:  Li, Zhaojun;  Li, Xutong;  Liu, Xiaohong;  Fu, Zunyun;  Xiong, Zhaoping
收藏  |  浏览/下载：79/0  |  提交时间：2020/07/01
Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design 期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 16, 页码: 7473-7488
作者:  Wang, Yulan;  Dai, Yang;  Wu, Xiaowei;  Li, Fei;  Liu, Bo
收藏  |  浏览/下载：18/0  |  提交时间：2020/07/01
Deep Neural Network Classifier for Virtual Screening Inhibitors of (S)-Adenosyl-L-Methionine (SAM)-Dependent Methyltransferase Family 期刊论文
FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 17
作者:  Li, Fei;  Wan, Xiaozhe;  Xing, Jing;  Tan, Xiaoqin;  Li, Xutong
收藏  |  浏览/下载：7/0  |  提交时间：2020/07/01

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