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Structural Feature Based Computational Approach Of Toxicity Prediction: Ionic Liquids toxicity: Effect of Anions and Cations - Softcover
Synopsis
Ionic liquids(IL's) toxicity database is very important now a days due to its diversified application. An economic IL's toxicity prediction method support in enlarging the toxic IL's database and a tool of a safe and sustainable environment.There is no DFT based IL's toxicity prediction method so far. The contents of the book present a novel investigation using the density functional theory (DFT) in predicting the toxicity of ionic liquids. Seventeen DFT based reactivity descriptors were investigated and detailed out in chapter 2.Electrophilic indices (ω),the energy of highest occupied (EHOMO) and lowest unoccupied molecular orbital,(ELUMO) and energy gap (∆E) were selected as the best toxicity descriptors of IL's via Pearson correlation and multiple linear regression analyses that discussed in chapter 4.The principle components analysis(PCA) demonstrated the distribution and interrelation of descriptors of the model. A multiple linear regression (MLR) analysis on selected descriptors derived the model equation for toxicity prediction of ionic liquids. The toxicity perdition method help researchers, toxicologist and for industrial application in knowing the level of their toxicity.
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About the Author
Dr Md Abdus Salam is a scientist of BCSIR and Ex-faculty member of UTP, Malaysia. He has extensive experiences in strengthening industry-relevant research and academic excellence. He has obtained a PhD in Chemical Eng. from Univ. Teknologi PETRONAS, Malaysia. His research area is design and development of advanced materials and chemical processes.
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- PublisherLAP LAMBERT Academic Publishing
- Publication date2017
- ISBN 10 3330050616
- ISBN 13 9783330050617
- BindingPaperback
- LanguageEnglish
- Number of pages64
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Structural Feature Based Computational Approach Of Toxicity Prediction
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LAP LAMBERT Academic Publishing Mrz 2017, 2017
ISBN 10: 3330050616
ISBN 13: 9783330050617
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Seller: BuchWeltWeit Ludwig Meier e.K., Bergisch Gladbach, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -Ionic liquids(IL's) toxicity database is very important now a days due to its diversified application. An economic IL's toxicity prediction method support in enlarging the toxic IL's database and a tool of a safe and sustainable environment.There is no DFT based IL's toxicity prediction method so far. The contents of the book present a novel investigation using the density functional theory (DFT) in predicting the toxicity of ionic liquids. Seventeen DFT based reactivity descriptors were investigated and detailed out in chapter 2.Electrophilic indices ( ),the energy of highest occupied (EHOMO) and lowest unoccupied molecular orbital,(ELUMO) and energy gap ( E) were selected as the best toxicity descriptors of IL's via Pearson correlation and multiple linear regression analyses that discussed in chapter 4.The principle components analysis(PCA) demonstrated the distribution and interrelation of descriptors of the model. A multiple linear regression (MLR) analysis on selected descriptors derived the model equation for toxicity prediction of ionic liquids. The toxicity perdition method help researchers, toxicologist and for industrial application in knowing the level of their toxicity. 64 pp. Englisch. Seller Inventory # 9783330050617
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Structural Feature Based Computational Approach Of Toxicity Prediction : Ionic Liquids toxicity: Effect of Anions and Cations
Published by
LAP LAMBERT Academic Publishing, 2017
ISBN 10: 3330050616
ISBN 13: 9783330050617
New
Taschenbuch
Seller: AHA-BUCH GmbH, Einbeck, Germany
Seller rating 5 out of 5 stars
Taschenbuch. Condition: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - Ionic liquids(IL's) toxicity database is very important now a days due to its diversified application. An economic IL's toxicity prediction method support in enlarging the toxic IL's database and a tool of a safe and sustainable environment.There is no DFT based IL's toxicity prediction method so far. The contents of the book present a novel investigation using the density functional theory (DFT) in predicting the toxicity of ionic liquids. Seventeen DFT based reactivity descriptors were investigated and detailed out in chapter 2.Electrophilic indices ( ),the energy of highest occupied (EHOMO) and lowest unoccupied molecular orbital,(ELUMO) and energy gap ( E) were selected as the best toxicity descriptors of IL's via Pearson correlation and multiple linear regression analyses that discussed in chapter 4.The principle components analysis(PCA) demonstrated the distribution and interrelation of descriptors of the model. A multiple linear regression (MLR) analysis on selected descriptors derived the model equation for toxicity prediction of ionic liquids. The toxicity perdition method help researchers, toxicologist and for industrial application in knowing the level of their toxicity. Seller Inventory # 9783330050617
Quantity: 1 available
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Structural Feature Based Computational Approach Of Toxicity Prediction: Ionic Liquids toxicity: Effect of Anions and Cations
Published by
LAP LAMBERT Academic Publishing, 2017
ISBN 10: 3330050616
ISBN 13: 9783330050617
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Paperback. Condition: Brand New. 64 pages. 8.66x5.91x0.15 inches. In Stock. Seller Inventory # 3330050616
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Structural Feature Based Computational Approach Of Toxicity Prediction
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LAP LAMBERT Academic Publishing, 2017
ISBN 10: 3330050616
ISBN 13: 9783330050617
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Condition: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Salam Md AbdusDr Md Abdus Salam is a scientist of BCSIR and Ex-faculty member of UTP, Malaysia. He has extensive experiences in strengthening industry-relevant research and academic excellence. He has obtained a PhD in Chemical Eng. . Seller Inventory # 151234679
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