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CORC

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A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling 期刊论文
JOURNAL OF CHEMINFORMATICS, 2021, 卷号: 13, 期号: 1, 页码: 17
作者:  Wang, Dingyan;  Yu, Jie;  Chen, Lifan;  Li, Xutong;  Jiang, Hualiang
收藏  |  浏览/下载：59/0  |  提交时间：2021/11/04
The critical factors affecting typical organophosphate flame retardants to mimetic biomembrane: An integrated in vitro and in silico study 期刊论文
CHEMOSPHERE, 2019, 卷号: 226, 页码: 159-165
作者:  Wang, XQ;  Meng, XJ;  Li, F;  Ding, JW;  Ji, CL
收藏  |  浏览/下载：35/0  |  提交时间：2020/07/08
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study 期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:  Li, Yingying;  Peng, Jiale;  Li, Penghua;  Du, Haibo;  Li, Yaping
收藏  |  浏览/下载：65/0  |  提交时间：2019/07/29
Development of Prediction Models on Base-Catalyzed Hydrolysis Kinetics of Phthalate Esters with Density Functional Theory Calculation 期刊论文
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2019, 卷号: 53, 页码: 5828-5837
作者:  Xu, Tong;  Chen, Jingwen;  Wang, Zhongyu;  Tang, Weihao;  Xia, Deming
收藏  |  浏览/下载：18/0  |  提交时间：2019/12/02
Modeling adsorption of organic pollutants onto single-walled carbon nanotubes with theoretical molecular descriptors using MLR and SVM algorithms 期刊论文
CHEMOSPHERE, 2019, 卷号: 214, 页码: 79-84
作者:  Wang, Ya;  Chen, Jingwen;  Tang, Weihao;  Xia, Deming;  Liang, Yuzhen
收藏  |  浏览/下载：33/0  |  提交时间：2019/12/02
Mechanism and predictive model development of reaction rate constants for N-center radicals with O2 期刊论文
Chemosphere, 2019, 卷号: 237, 页码: 124411
作者:  Liu Cong;  Ma Fangfang;  Elm Jonas;  Fu Zihao;  Tang Weihao
收藏  |  浏览/下载：14/0  |  提交时间：2019/12/02
Development of a nano-QSPR model to predict band gaps of spherical metal oxide nanoparticles 期刊论文
RSC ADVANCES, 2019, 卷号: 9, 页码: 8426-8434
作者:  Wang, Jiaxing;  Wang, Ya;  Huang, Yang;  Peijnenburg, Willie J. G. M.;  Chen, Jingwen
收藏  |  浏览/下载：9/0  |  提交时间：2019/12/02
Rate constants of hydroxyl radicals reaction with different dissociation species of fluoroquinolones and sulfonamides: Combined experimental and QSAR studies 期刊论文
WATER RESEARCH, 2019, 卷号: 166, 页码: 115083
作者:  Luo, Xiang;  Wei, Xiaoxuan;  Chen, Jingwen;  Xie, Qing;  Yang, Xianhai
收藏  |  浏览/下载：7/0  |  提交时间：2019/12/02
Design of environmentally friendly neonicotinoid insecticides with bioconcentration tuning and Bi-directional selective toxic effects 期刊论文
Journal of Cleaner Production, 2019, 卷号: Vol.221, 页码: 113-121
作者:  Yuanyuan Zhao;  Yu Li
收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17
Combined QSAR/QSPR and molecular docking study on fluoroquinolones to reduce biological enrichment. 期刊论文
Computational biology and chemistry, 2019, 卷号: Vol.79, 页码: 177-184
作者:  Xiaohui Zhao;  Yuanyuan Zhao;  Zhixing Ren;  Yu Li
收藏  |  浏览/下载：10/0  |  提交时间：2019/12/17

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