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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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Main Authors: Ali Al Fakih, Abdo Mohammed, Aziz, Madzlan, Abdallah, Hassan, Maarof, Hasmerya, Jamaludin, Rosmahaida, Usman, Bishir
Format: Article
Published: Malaysian Society of Analytical Sciences 2016
Subjects:
Q Science
Online Access:http://eprints.utm.my/id/eprint/68342/
http://www.ukm.my/mjas/v20_n3/pdf/Al-Fakih_20_3_4.pdf
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spelling my.utm.683422017-11-30T02:15:30Z http://eprints.utm.my/id/eprint/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
institution Universiti Teknologi Malaysia
building UTM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Teknologi Malaysia
content_source UTM Institutional Repository
url_provider http://eprints.utm.my/
topic Q Science
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
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.
format Article
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
title 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_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_sort corrosion inhibition of inhibition of mild steel by two furan derivatives
publisher Malaysian Society of Analytical Sciences
publishDate 2016
url http://eprints.utm.my/id/eprint/68342/
http://www.ukm.my/mjas/v20_n3/pdf/Al-Fakih_20_3_4.pdf
_version_ 1643655937625423872
score 13.211869

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