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SAR QSAR Environ Res. 2017 May 25:1-12. doi: 10.1080/1062936X.2017.1326402. [Epub ahead of print]
A QSAR classification model for neuraminidase inhibitors of influenza A viruses (H1N1) based on weighted penalized support vector machine.
Algamal ZY1, Qasim MK2, Ali HTM3.
Author information
Abstract
Descriptor selection is a procedure widely used in chemometrics. The aim is to select the best subset of descriptors relevant to the quantitative structure-activity relationship (QSAR) study being considered. In this paper, a new descriptor selection method for the QSAR classification model is proposed by adding a new weight inside L1-norm. The experimental results from classifying the neuraminidase inhibitors of influenza A viruses (H1N1) demonstrate that the proposed method in the QSAR classification model performs effectively and competitively compared with other existing penalized methods in terms of classification performance and the number of selected descriptors.
KEYWORDS:
Penalized support vector machine; Wilcoxon rank sum test; descriptor selection; influenza A viruses; lasso
PMID: 28539063 DOI: 10.1080/1062936X.2017.1326402
A QSAR classification model for neuraminidase inhibitors of influenza A viruses (H1N1) based on weighted penalized support vector machine.
Algamal ZY1, Qasim MK2, Ali HTM3.
Author information
Abstract
Descriptor selection is a procedure widely used in chemometrics. The aim is to select the best subset of descriptors relevant to the quantitative structure-activity relationship (QSAR) study being considered. In this paper, a new descriptor selection method for the QSAR classification model is proposed by adding a new weight inside L1-norm. The experimental results from classifying the neuraminidase inhibitors of influenza A viruses (H1N1) demonstrate that the proposed method in the QSAR classification model performs effectively and competitively compared with other existing penalized methods in terms of classification performance and the number of selected descriptors.
KEYWORDS:
Penalized support vector machine; Wilcoxon rank sum test; descriptor selection; influenza A viruses; lasso
PMID: 28539063 DOI: 10.1080/1062936X.2017.1326402