2012
DOI: 10.5012/bkcs.2012.33.5.1527
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A New Variable Selection Method Based on Mutual Information Maximization by Replacing Collinear Variables for Nonlinear Quantitative Structure-Property Relationship Models

Abstract: Selection of the most informative molecular descriptors from the original data set is a key step for development of quantitative structure activity/property relationship models. Recently, mutual information (MI) has gained increasing attention in feature selection problems. This paper presents an effective mutual information-based feature selection approach, named mutual information maximization by replacing collinear variables (MIMRCV), for nonlinear quantitative structure-property relationship models. The pr… Show more

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Cited by 4 publications
(2 citation statements)
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References 42 publications
(37 reference statements)
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“…The experimental values of DT50 can be compared to the predicted values obtained with the quantitative structure property relationship models, which were developed based on theoretically derived molecular descriptors. Ghasemi and Zolfonoun (2012) estimated a DT50 value for glyphosate of 18.1 days with the support vector machines (SVM) approach and D r a f t of 12.0 days with the radial basis function neural network approach. A DT50 of 9.5 days was predicted by Samghani and Fatemi (2016) via the SVM approach.…”
Section: R a F Tmentioning
confidence: 99%
“…The experimental values of DT50 can be compared to the predicted values obtained with the quantitative structure property relationship models, which were developed based on theoretically derived molecular descriptors. Ghasemi and Zolfonoun (2012) estimated a DT50 value for glyphosate of 18.1 days with the support vector machines (SVM) approach and D r a f t of 12.0 days with the radial basis function neural network approach. A DT50 of 9.5 days was predicted by Samghani and Fatemi (2016) via the SVM approach.…”
Section: R a F Tmentioning
confidence: 99%
“…There are a number of works related to variable selection based on mutual informa tion, e.g. [7]- [9]. Mutual information is based on the concept of entropy of a random variable.…”
Section: A Pcamentioning
confidence: 99%