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科研机构
兰州大学 [8]
上海药物研究所 [2]
中国科学院大学 [1]
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期刊论文 [11]
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chemistry [4]
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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:48/0
  |  
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
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
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
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
Acute toxicity
Local lazy learning
Applicability domain
Consensus model
Integrated QSPR models to predict the soil sorption coefficient for a large diverse set of compounds by using different modeling methods
期刊论文
ATMOSPHERIC ENVIRONMENT, 2014, 卷号: 88
-
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浏览/下载:5/0
  |  
提交时间:2014/12/05
Soil sorption coefficient
OECD principles
QSPR
Genetic algorithms
LS-SVM
Local lazy regression
Prediction of the adsorption capability onto activated carbon of a large data set of chemicals by local lazy regression method
期刊论文
ATMOSPHERIC ENVIRONMENT, 2010, 卷号: 44, 期号: 25
-
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  |  
浏览/下载:2/0
  |  
提交时间:2014/12/05
Activated carbon adsorption capability
Quantitative structure-property relationship (QSPR)
Genetic algorithm (GA)
Local lazy regression (LLR)
Global and local prediction of protein folding rates based on sequence autocorrelation information
期刊论文
JOURNAL OF THEORETICAL BIOLOGY, 2010, 卷号: 264, 期号: 4
-
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2014/12/05
Amino acid sequence autocorrelation
Genetic algorithm
Multiple linear regression
Local lazy regression
Protein folding rate
A New Strategy to Improve the Predictive Ability of the Local Lazy Regression and Its Application to the QSAR Study of Melanin-Concentrating Hormone Receptor 1 Antagonists
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 期号: 5
-
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浏览/下载:5/0
  |  
提交时间:2014/12/05
local lazy regression
multiple linear regression
melanin-concentrating hormone receptor 1
Global, local and novel consensus quantitative structure-activity relationship studies of 4-(Phenylaminomethylene) isoquinoline-1, 3 (2H, 4H)-diones as potent inhibitors of the cyclin-dependent kinase 4
期刊论文
ANALYTICA CHIMICA ACTA, 2009, 卷号: 644, 期号: 1-2
-
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  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
Cyclin-dependent kinase 4 (CDK4)
Quantitative structure-activity relationship (QSAR)
Local lazy regression (LLR)
Consensus models
Prediction of relative sensitivity of the olfactory and nasal trigeminal chemosensory systems for a series of the volatile organic compounds based on local lazy regression method
期刊论文
SENSORS AND ACTUATORS B-CHEMICAL, 2009, 卷号: 138, 期号: 1
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
Quantitative structure-activity relationship
Best multi-linear regression
Local lazy regression
Odor detection thresholds
Nasal pungency thresholds
Prediction of retention indices of drugs based on immobilized artificial membrane chromatography using Projection Pursuit Regression and Local Lazy Regression
期刊论文
JOURNAL OF SEPARATION SCIENCE, 2008, 卷号: 31, 期号: 12
-
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2014/12/05
retention indices
immobilized artificial membrane
Local Lazy Regression
projection pursuit regression
quantitative structure-retention relationship
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