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Journals / Turkish Journal of Chemistry / 2002 / Cilt: 26 - Sayı: 3

Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives

Gustavo P. ROMANELLI
Juan Carlos AUTINO
Eduardo A. CASTRO
Pages
335–343
Publication Date
2022-11-04
DOI
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

📌 3 Key Takeaways

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Objective & Hypothesis:The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}).
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Key Findings & Data:Five quantum mechanical molecular descriptors are used to calculate the regression equations.
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Conclusion & Impact:Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.
🔬Design:Research Article
📍Scope:Comprehensive Sample
⚙️Variables:QSRR - Quantum mechanical molecular descriptors - Retention Index - Bromo and Nitrile Derivatives · QSRR - Quantum mechanical molecular descriptors - Retention Index - Bromo and Nitrile Derivatives

Abstract

The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

Özet

The retention times are studied for two sets of 1-bromo-2-aryiloxyetanes and 3- aryloxypropiononitriles derivatives by means of Quantitative Structure-Retention Relationships (QSRR}). Five quantum mechanical molecular descriptors are used to calculate the regression equations. The fitting polynomials are computed in several-variable at first, second, and third order equations. Results are only significant when resorting to several-variable formulae which seems to point out the rather complex physical chemistry nature of the property under study.

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Cite This Article

ROMANELLI, G. P., AUTINO, J. C., CASTRO, E. A. (2022). Application of Quantitative Structure-Retention Relationships (QSRR) to a Set of Organic Bromo and Nitrile Derivatives. Turkish Journal of Chemistry, Cilt: 26 - Sayı: 3, 335–343. https://ajindex.com/articles/602302

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