High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty
This study addresses the problem of the high-dimensionality of quantitative structure-activity relationship (QSAR) classification modeling. A new selection of descriptors that truly affect biological activity and a QSAR classification model estimation method are proposed by combining the sparse logi...
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| Format: | Article |
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John Wiley and Sons Ltd
2017
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| author | Algamal, Z. Y. Lee, M. H. Al-Fakih, A. M. Aziz, M. |
| author_facet | Algamal, Z. Y. Lee, M. H. Al-Fakih, A. M. Aziz, M. |
| author_sort | Algamal, Z. Y. |
| collection | ePrints |
| description | This study addresses the problem of the high-dimensionality of quantitative structure-activity relationship (QSAR) classification modeling. A new selection of descriptors that truly affect biological activity and a QSAR classification model estimation method are proposed by combining the sparse logistic regression model with a bridge penalty for classifying the anti-hepatitis C virus activity of thiourea derivatives. Compared to other commonly used sparse methods, the proposed method shows superior results in terms of classification accuracy and model interpretation. |
| first_indexed | 2024-03-05T20:12:40Z |
| format | Article |
| id | utm.eprints-76444 |
| institution | Universiti Teknologi Malaysia - ePrints |
| last_indexed | 2024-03-05T20:12:40Z |
| publishDate | 2017 |
| publisher | John Wiley and Sons Ltd |
| record_format | dspace |
| spelling | utm.eprints-764442018-05-31T09:20:57Z http://eprints.utm.my/76444/ High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty Algamal, Z. Y. Lee, M. H. Al-Fakih, A. M. Aziz, M. QA Mathematics This study addresses the problem of the high-dimensionality of quantitative structure-activity relationship (QSAR) classification modeling. A new selection of descriptors that truly affect biological activity and a QSAR classification model estimation method are proposed by combining the sparse logistic regression model with a bridge penalty for classifying the anti-hepatitis C virus activity of thiourea derivatives. Compared to other commonly used sparse methods, the proposed method shows superior results in terms of classification accuracy and model interpretation. John Wiley and Sons Ltd 2017 Article PeerReviewed Algamal, Z. Y. and Lee, M. H. and Al-Fakih, A. M. and Aziz, M. (2017) High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty. Journal of Chemometrics, 31 (6). ISSN 0886-9383 https://www.scopus.com/inward/record.uri?eid=2-s2.0-85017532383&doi=10.1002%2fcem.2889&partnerID=40&md5=92b3166570641182f2b42a6a5c827275 DOI:10.1002/cem.2889 |
| spellingShingle | QA Mathematics Algamal, Z. Y. Lee, M. H. Al-Fakih, A. M. Aziz, M. High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title | High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title_full | High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title_fullStr | High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title_full_unstemmed | High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title_short | High-dimensional QSAR classification model for anti-hepatitis C virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| title_sort | high dimensional qsar classification model for anti hepatitis c virus activity of thiourea derivatives based on the sparse logistic regression model with a bridge penalty |
| topic | QA Mathematics |
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