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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:61/0  |  提交时间:2021/11/04
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine 期刊论文
Biochimica et biophysica acta-general subjects, 2016, 卷号: 1860, 期号: 11, 页码: 2664-2671
作者:  Lu, Jing;  Lu, Dong;  Zhang, Xiaochen;  Bi, Yi;  Cheng, Keguang
收藏  |  浏览/下载:49/0  |  提交时间:2019/05/09
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 11, 页码: 2664-2671
作者:  Lu, Jing;  Lu, Dong;  Zhang, Xiaochen;  Bi, Yi;  Cheng, Keguang
收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine 期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 11, 页码: 2664-2671
作者:  Lu, Jing;  Lu, Dong;  Zhang, Xiaochen;  Bi, Yi;  Cheng, Keguang
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/16
Model population analysis in chemometrics 期刊论文
Chemometrics and Intelligent Laboratory Systems, 2015, 卷号: 149, 页码: 166-176
作者:  Deng, Bai-Chuan;  Yun, Yong-Huan;  Liang, Yi-Zeng*
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/03
Estimation of acute oral toxicity in rat using local lazy learning 期刊论文
JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6
作者:  Lu, Jing;  Peng, Jianlong;  Wang, Jinan;  Shen, Qiancheng;  Bi, Yi
收藏  |  浏览/下载:16/0  |  提交时间:2019/01/08
A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship 期刊论文
Molecular Informatics, 2014, 卷号: 33, 期号: 8, 页码: 503-513
作者:  Yan, Jun;  Zhu, Wei-Wei;  Kong, Bo;  Lu, Hong-Bing;  Yun, Yong-Huan
收藏  |  浏览/下载:4/0  |  提交时间:2019/12/03
Global Performance and Trend of QSAR/QSPR Research: A Bibliometric Analysis 期刊论文
2014
Li, Li; Hu, Jianxin; Ho, Yuh-Shan
收藏  |  浏览/下载:4/0  |  提交时间:2015/11/10
Development and validation of theoretical linear solvation energy relationship models for toxicity prediction to fathead minnow (pimephales promelas) 期刊论文
CHEMOSPHERE, 2014, 卷号: 96, 页码: 188-194
作者:  Lyakurwa, Felichesmi;  Yang, Xianhai;  Li, Xuehua;  Qiao, Xianliang;  Chen, Jingwen
收藏  |  浏览/下载:2/0  |  提交时间:2019/12/09
Development of in silico models for predicting LSER molecular parameters and for acute toxicity prediction to fathead minnow (Pimephales promelas) 期刊论文
CHEMOSPHERE, 2014, 卷号: 108, 页码: 17-25
作者:  Lyakurwa, Felichesmi Selestini;  Yang, Xianhai;  Li, Xuehua;  Qiao, Xianliang;  Chen, Jingwen
收藏  |  浏览/下载:3/0  |  提交时间:2019/12/09


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