中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [3]
生态环境研究中心 [2]
广州地球化学研究所 [1]
中国科学院大学 [1]
烟台海岸带研究所 [1]
采集方式
OAI收割 [7]
iSwitch采集 [1]
内容类型
期刊论文 [8]
发表日期
2024 [1]
2021 [2]
2016 [2]
2014 [1]
2012 [1]
2009 [1]
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学科主题
Environmen... [1]
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浏览/检索结果:
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Multi-task machine learning models for simultaneous prediction of tissue-to-blood partition coefficients of chemicals in mammals
期刊论文
OAI收割
ENVIRONMENTAL RESEARCH, 2024, 卷号: 241, 页码: 8
作者:
Zhang, Shuying
;
Luo, Xiaojun
;
Mai, Bixian
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2024/09/12
Risk assessment
Applicability domain
Artificial neural network
Tissue-to-blood partition coefficient
Multi-task learning
Random forest
Profiles, spatial distributions and inventory of brominated dioxin and furan emissions from secondary nonferrous smelting industries in China
期刊论文
OAI收割
JOURNAL OF HAZARDOUS MATERIALS, 2021, 卷号: 55, 期号: 19, 页码: 12741-12754
作者:
Yang, Yuanping
;
Zheng, Minghui
;
Yang, Lili
;
Jin, Rong
;
Li, Cui
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2022/01/04
applicability domain
artificial intelligence
best practices
feature importance
machine learning modeling
model applications
model interpretation
predictive modeling
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling
期刊论文
OAI收割
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:112/0
  |  
提交时间:2021/11/04
Uncertainty quantification
Quantitative structure-activity relationship
Bayesian neural network
Applicability domain
Bayesian inference
Error prediction
Artificial intelligence
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine
期刊论文
iSwitch采集
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:52/0
  |  
提交时间:2019/05/09
Elimination half-life
Gradient boosting machine
Applicability domain
Consensus model
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine
期刊论文
OAI收割
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:27/0
  |  
提交时间:2019/01/08
Elimination half-life
Gradient boosting machine
Applicability domain
Consensus model
Estimation of acute oral toxicity in rat using local lazy learning
期刊论文
OAI收割
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:27/0
  |  
提交时间:2019/01/08
Acute toxicity
Local lazy learning
Applicability domain
Consensus model
Docking and QSAR study on the binding interactions between polycyclic aromatic hydrocarbons and estrogen receptor
期刊论文
OAI收割
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2012, 卷号: 80, 页码: 273-279
作者:
Li, Fei
;
Wu, Huifeng
;
Li, Lianzhen
;
Li, Xuehua
;
Zhao, Jianmin
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2013/03/08
Polycyclic aromatic hydrocarbons (PAHs)
Estrogenic activity
Molecular docking
Quantitative structure-activity relationship (QSAR)
Applicability domain
Determination and prediction of xenoestrogens by recombinant yeast-based assay and QSAR
期刊论文
OAI收割
CHEMOSPHERE, 2009, 卷号: 74, 期号: 9, 页码: 1152-1157
Li, Fei
;
Chen, Jingwen
;
Wang, Zijian
;
Li, Jian
;
Qiao, Xianhang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2015/08/13
Xenoestrogens
Yeast-based assay
QSAR
Partial least squares
External validation
Applicability domain