Corrosion inhibition of inhibition of mild steel by two furan derivatives
Quantitative Structure - Activity Relationship (QSAR) study was performed on 10 isatin derivatives which were reportedly used as corrosion inhibitors. Dragon software was used to calculate the molecular descriptors. Partial least square (PLS) method w as used to run the regression analysis between t...
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| Format: | Article |
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Malaysian Society of Analytical Sciences
2016
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| _version_ | 1796861603339042816 |
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| author | Ali Al Fakih, Abdo Mohammed Aziz, Madzlan Abdallah, Hassan Maarof, Hasmerya Jamaludin, Rosmahaida Usman, Bishir |
| author_facet | Ali Al Fakih, Abdo Mohammed Aziz, Madzlan Abdallah, Hassan Maarof, Hasmerya Jamaludin, Rosmahaida Usman, Bishir |
| author_sort | Ali Al Fakih, Abdo Mohammed |
| collection | ePrints |
| description | Quantitative Structure - Activity Relationship (QSAR) study was performed on 10 isatin derivatives which were reportedly used as corrosion inhibitors. Dragon software was used to calculate the molecular descriptors. Partial least square (PLS) method w as used to run the regression analysis between the descriptors and the corrosion inhibition efficiencies (IE) of the inhibitors. A predictive QSAR model was developed with a correlation coefficient ( r 2 cal ) of 0.9676. The model validity was assessed through internal and external validation. The results show that cross - validation regression coeffic ient ( r 2 cv ) and prediction regression coefficient ( r 2 pred ) are 0.8163 and 0.9189, respectively. The model was used to predict the IE for ten isatin derivatives. The results confirm a good stability and predictive ability of the model. Dragon - based descript ors provide a very good description of the corrosion inhibition properties of the inhibitors. The results of the QSAR study were found to be consistent with the experimental data. |
| first_indexed | 2024-03-05T19:58:54Z |
| format | Article |
| id | utm.eprints-68342 |
| institution | Universiti Teknologi Malaysia - ePrints |
| last_indexed | 2024-03-05T19:58:54Z |
| publishDate | 2016 |
| publisher | Malaysian Society of Analytical Sciences |
| record_format | dspace |
| spelling | utm.eprints-683422017-11-30T02:15:30Z http://eprints.utm.my/68342/ Corrosion inhibition of inhibition of mild steel by two furan derivatives Ali Al Fakih, Abdo Mohammed Aziz, Madzlan Abdallah, Hassan Maarof, Hasmerya Jamaludin, Rosmahaida Usman, Bishir Q Science Quantitative Structure - Activity Relationship (QSAR) study was performed on 10 isatin derivatives which were reportedly used as corrosion inhibitors. Dragon software was used to calculate the molecular descriptors. Partial least square (PLS) method w as used to run the regression analysis between the descriptors and the corrosion inhibition efficiencies (IE) of the inhibitors. A predictive QSAR model was developed with a correlation coefficient ( r 2 cal ) of 0.9676. The model validity was assessed through internal and external validation. The results show that cross - validation regression coeffic ient ( r 2 cv ) and prediction regression coefficient ( r 2 pred ) are 0.8163 and 0.9189, respectively. The model was used to predict the IE for ten isatin derivatives. The results confirm a good stability and predictive ability of the model. Dragon - based descript ors provide a very good description of the corrosion inhibition properties of the inhibitors. The results of the QSAR study were found to be consistent with the experimental data. Malaysian Society of Analytical Sciences 2016-01-06 Article PeerReviewed Ali Al Fakih, Abdo Mohammed and Aziz, Madzlan and Abdallah, Hassan and Maarof, Hasmerya and Jamaludin, Rosmahaida and Usman, Bishir (2016) Corrosion inhibition of inhibition of mild steel by two furan derivatives. Malaysian Journal of Analytical Sciences, 20 (3). pp. 484-490. ISSN 1394-2506 http://www.ukm.my/mjas/v20_n3/pdf/Al-Fakih_20_3_4.pdf |
| spellingShingle | Q Science Ali Al Fakih, Abdo Mohammed Aziz, Madzlan Abdallah, Hassan Maarof, Hasmerya Jamaludin, Rosmahaida Usman, Bishir Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title | Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title_full | Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title_fullStr | Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title_full_unstemmed | Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title_short | Corrosion inhibition of inhibition of mild steel by two furan derivatives |
| title_sort | corrosion inhibition of inhibition of mild steel by two furan derivatives |
| topic | Q Science |
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