Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.
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A Combinational Strategy of Model Disturbance and Outlier Comparison to Define Applicability Domain in Quantitative Structural Activity Relationship.The model adaptive space shrinkage (MASS) approach: a new method for simultaneous variable selection and outlier detection based on model population analysis.3D-QSPR method of computational technique applied on red reactive dyes by using CoMFA strategy.An enhanced Monte Carlo outlier detection method.Improvement of the Prediction Power of the CoMFA and CoMSIA Models on Histamine H3 Antagonists by Different Variable Selection Methods.QSPR studies for predicting polarity parameter of organic compounds in methanol using support vector machine and enhanced replacement method.Modeling and predicting the solute polarity parameter in reversed-phase liquid chromatography using quantitative structure-property relationship approaches.In silicoevaluation of logD7.4and comparison with other prediction methods
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P2860
Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.
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2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
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2010年学术文章
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2010年学术文章
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2010年学术文章
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name
Toward better QSAR/QSPR modeli ...... istribution of model features.
@en
Toward better QSAR/QSPR modeli ...... istribution of model features.
@nl
type
label
Toward better QSAR/QSPR modeli ...... istribution of model features.
@en
Toward better QSAR/QSPR modeli ...... istribution of model features.
@nl
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Toward better QSAR/QSPR modeli ...... istribution of model features.
@en
Toward better QSAR/QSPR modeli ...... istribution of model features.
@nl
P2093
P2860
P1476
Toward better QSAR/QSPR modeli ...... istribution of model features.
@en
P2093
Dongsheng Cao
Hongdong Li
Qingsong Xu
Yifeng Yun
Yizeng Liang
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P2888
P356
10.1007/S10822-010-9401-1
P577
2010-11-13T00:00:00Z