Yadong Chen

Yadong Chen


Research Focus & Metrics

Academic Career Length

5Years (2022-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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28 February 2022 in European Journal of Medicinal Chemistry
Verified
Journal Article
Closed access
YHYi Hua
Yi Hua
XDXiaowen Dai
Xiaowen Dai
YXYuan Xu
Yuan Xu
GXGuomeng Xing
Guomeng Xing
HLHaichun Liu
Haichun Liu
YZYanmin Zhang
Yanmin Zhang

11 February 2020 in Frontiers in Oncology
Verified
Journal Article
Open access
PDF file
QCQiuji Cui
Qiuji Cui
SLShuai Lu
Shuai Lu
BNBingwei Ni
Bingwei Ni
XZXian Zeng
Xian Zeng
YTYing Tan
Ying Tan
HZHongping Zhao
Hongping Zhao
Aqueous solubility is an important physicochemical property of compounds in anti-cancer drug discovery. Artificial intelligence solubility prediction tools have scored impressive performances by employing regression, machine learning, and deep learning methods. The reported performances vary significantly partly because of the different datasets used. Solubility prediction on novel compounds needs to be improved, which may be achieved by going deeper with deep learning. We constructed deeper-net models of ~20-layer modified ResNet convolutional neural network architecture, which were trained and tested with 9,943 compounds encoded by molecular fingerprints. Retrospectively tested by 62 recently-published novel compounds, one deeper-net model outperformed four established tools, shallow-net models, and four human experts. Deeper-net models also outperformed others in predicting the solubility values of a series of novel compounds newly-synthesized for anti-cancer drug discovery. Solubility prediction may be improved by going deeper with deep learning. Our deeper-net models are accessible at http://www.npbdb.net/solubility/index.jsp.

12 August 2019 in Journal of Chemical Information and Modeling
Verified
Journal Article
Closed access
YWYuchen Wang
Yuchen Wang
HLHaichun Liu
Haichun Liu
YFYuanrong Fan
Yuanrong Fan
XCXingye Chen
Xingye Chen
YYYan Yang
Yan Yang
YZYanmin Zhang
Yanmin Zhang

10 March 2021 in Journal of Medicinal Chemistry
Verified
Journal Article
Closed access
ZWZhijie Wang
Zhijie Wang
JCJiongheng Cai
Jiongheng Cai
JCJie Cheng
Jie Cheng
WYWenqianzi Yang
Wenqianzi Yang
YZYifan Zhu
Yifan Zhu
SLShuai Lu
Shuai Lu

30 November 2019 in Journal of Medicinal Chemistry
Verified
Journal Article
Closed access
FJFei Jiang
Fei Jiang
QHQinghua Hu
Qinghua Hu
ZZZhimin Zhang
Zhimin Zhang
HLHongmei Li
Hongmei Li
HLHuili Li
Huili Li
YCYadong Chen
Yadong Chen

19 August 2023 in European Journal of Medicinal Chemistry
Verified
Journal Article
Closed access
QHQindi He
Qindi He
XZXiaofei Zhao
Xiaofei Zhao
DWDonglin Wu
Donglin Wu
SJSiming Jia
Siming Jia
CLCanlin Liu
Canlin Liu
SLShuai Lu
Shuai Lu