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78 results for Quantitative+structure-retention+relationship+(QSRR)

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ArticlesPeer ReviewedFull Text
Retention-time prediction in comprehensive two-dimensional gas chromatography to aid identification of unknown contaminants
Author / Creator:Veenaas, Cathrin ; Linusson, Anna ; Haglund, Peter
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:Analytical and bioanalytical chemistry, 2018-12, Vol.410 (30), p.7931-7941
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ArticlesPeer ReviewedFull Text
Predicting Retention Times of Naturally Occurring Phenolic Compounds in Reversed-Phase Liquid Chromatography: A Quantitative Structure-Retention Relationship (QSRR) Approach
Author / Creator:Akbar, Jamshed ; Iqbal, Shahid ; Batool, Fozia ; Karim, Abdul ; Chan, Kim
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2012-11, Vol.13 (11), p.15387-15400
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ArticlesPeer ReviewedFull Text
Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning
Author / Creator:Mazraedoost, Sargol ; Žuvela, Petar ; Ulenberg, Szymon ; Bączek, Tomasz ; Liu, J. Jay
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:Analytical and bioanalytical chemistry, 2024-05, Vol.416 (12), p.2951-2968
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ArticlesPeer ReviewedFull Text
Prediction of the n-Octanol/Water Partition Coefficients of Basic Compounds Using Multi-Parameter QSRR Models Based on IS-RPLC Retention Behavior in a Wide pH Range
Author / Creator:Qiao, Jun-Qin ; Liu, Xiao-Lan ; Liang, Chao ; Wang, Ju ; Lian, Hong-Zhen ; Mao, Li
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-02, Vol.28 (5), p.2270
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ArticlesPeer ReviewedFull Text
Quantitative structure –retention relationship modeling of selected antipsychotics and their impurities in green liquid chromatography using cyclodextrin mobile phases
Author / Creator:Maljuric, Nevena ; Golubovic, Jelena ; Otasevic, Biljana ; Zecevic, Mira ; Protic, Ana
Publisher:Berlin/Heidelberg: Springer Berlin Heidelberg
Journal title:Analytical and bioanalytical chemistry, 2018-04, Vol.410 (10), p.2533-2550
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ArticlesPeer ReviewedFull Text
Investigating the role of weight update functions in developing artificial neural network modeling of retention times of furan and phenol derivatives
Author / Creator:Garkani-Nejad, Zahra ; Ahmadi-Roudi, Behzad
Publisher:Ottawa: NRC Research Press
Journal title:Canadian journal of chemistry, 2013-04, Vol.91 (4), p.255-262
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ArticlesPeer ReviewedFull Text
Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography
Author / Creator:Xie, Jingru ; Chen, Si ; Zhao, Liang ; Dong, Xin
Publisher:China: Elsevier B.V
Journal title:Journal of pharmaceutical analysis, 2025-01, Vol.15 (1), p.101155, Article 101155
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ArticlesPeer ReviewedFull Text
Quantitative Structure–Retention Relationship Analysis of Polycyclic Aromatic Compounds in Ultra-High Performance Chromatography
Author / Creator:Ruggieri, Fabrizio ; Biancolillo, Alessandra ; D’Archivio, Angelo Antonio ; Di Donato, Francesca ; Foschi, Martina ; Maggi, Maria Anna ; Quattrociocchi, Claudia
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-04, Vol.28 (7), p.3218
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ArticlesPeer ReviewedFull Text
Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy
Author / Creator:Kumari, Priyanka ; Van Laethem, Thomas ; Hubert, Philippe ; Fillet, Marianne ; Sacré, Pierre-Yves ; Hubert, Cédric
Publisher:Switzerland: MDPI AG
Journal title:Molecules (Basel, Switzerland), 2023-02, Vol.28 (4), p.1696
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Dissertations & ThesesFull Text
Different Approaches of Quantitative Structure Retention Relationship of Small Molecules in Liquid Chromatography(QSRR)
Author / Creator:Kumari, Priyanka
Publisher:ProQuest Dissertations & Theses
Date:2024
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ArticlesFull Text
New Findings from National Institute of Pharmaceutical Education and Research in the Area of Antidiabetic Agents Reported [Support Vector Models-based Quantitative Structure-retention Relationship (Qs...
Publisher:NewsRX LLC
Journal title:Obesity, fitness, & wellness week, 2023-12, p.156
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ArticlesPeer ReviewedFull Text
QSRR modeling of the chromatographic retention behavior of some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine
Author / Creator:Fouad, Marwa A. ; Serag, Ahmed ; Tolba, Enas H. ; El-Shal, Manal A. ; El Kerdawy, Ahmed M.
Publisher:Cham: Springer International Publishing
Journal title:BMC chemistry, 2022-11, Vol.16 (1), p.85-85, Article 85
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ArticlesPeer ReviewedFull Text
Quantitative Structure–Retention Relationships with Non-Linear Programming for Prediction of Chromatographic Elution Order
Author / Creator:Liu, J. Jay ; Alipuly, Alham ; Bączek, Tomasz ; Wong, Ming Wah ; Žuvela, Petar
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2019-07, Vol.20 (14), p.3443
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ArticlesPeer ReviewedFull Text
Application of Biomimetic Chromatography and QSRR Approach for Characterizing Organophosphate Pesticides
Author / Creator:Greber, Katarzyna Ewa ; Topka Kłończyński, Karol ; Nicman, Julia ; Judzińska, Beata ; Jarzyńska, Kamila ; Singh, Yash Raj ; Sawicki, Wiesław ; Puzyn, Tomasz ; Jagiello, Karolina ; Ciura, Krzesimir
Publisher:Switzerland: MDPI AG
Journal title:International journal of molecular sciences, 2025-03, Vol.26 (5), p.1855
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ArticlesPeer ReviewedFull Text
QSRR Modeling for Metabolite Standards Analyzed by Two Different Chromatographic Columns Using Multiple Linear Regression
Author / Creator:Zisi, Chrysostomi ; Sampsonidis, Ioannis ; Fasoula, Stella ; Papachristos, Konstantinos ; Witting, Michael ; Gika, Helen ; Nikitas, Panagiotis ; Pappa-Louisi, Adriani
Publisher:Switzerland: MDPI AG
Journal title:Metabolites, 2017-02, Vol.7 (1), p.7
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ArticlesPeer ReviewedFull Text
Chemometric studies of polycyclic aromatic hydrocarbon shape selectivity in reversed-phase liquid chromatography
Author / Creator:Lippa, Katrice A. ; Sander, Lane C. ; Wise, Stephen A.
Publisher:Germany
Journal title:Analytical and bioanalytical chemistry, 2004-01, Vol.378 (2), p.365-377
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ArticlesPeer ReviewedFull Text
Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography Application of artificial intelligence to quantitative structure–retention relati...
Author / Creator:Jingru Xie ; Si Chen ; Liang Zhao ; Xin Dong
Publisher:Elsevier
Journal title:Journal of pharmaceutical analysis, 2025-01, Vol.15 (1), p.101155
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ArticlesPeer ReviewedFull Text
Quantitative structure-retention relationship prediction of Kováts retention index of some organic acids
Author / Creator:Fatemi, M. H. ; Elyasi, M.
Publisher:Akademiai Kiado
Journal title:Acta chromatographica, 2013-09, Vol.25 (3), p.411-422
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ArticlesPeer ReviewedFull Text
Volatile Constituents of Cymbopogon citratus (DC.) Stapf Grown in Greenhouse in Serbia: Chemical Analysis and Chemometrics
Author / Creator:Aćimović, Milica ; Lončar, Biljana ; Todosijević, Marina ; Lekić, Stefan ; Erceg, Tamara ; Pezo, Milada ; Pezo, Lato
Publisher:Basel: MDPI AG
Journal title:Horticulturae, 2024-10, Vol.10 (10), p.1116
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ArticlesPeer ReviewedFull Text
Theoretical analysis on retention behavior of pigments in reversed-phase high-performance liquid chromatographic (HPLC)
Author / Creator:Song, Yuanzhi ; Zhou, Jianfeng ; Song, Yang ; Xie, Jiming ; Ye, Yong
Publisher:United States: Elsevier Ltd
Journal title:Computers in biology and medicine, 2007-03, Vol.37 (3), p.315-319
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Showing 1 to 20 of 78 results

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Retention-time prediction in comprehensive two-dimensional gas chromatography to aid identification of unknown contaminants

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Predicting Retention Times of Naturally Occurring Phenolic Compounds in Reversed-Phase Liquid Chromatography: A Quantitative Structure-Retention Relationship (QSRR) Approach

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Cross-column density functional theory–based quantitative structure-retention relationship model development powered by machine learning

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Prediction of the n-Octanol/Water Partition Coefficients of Basic Compounds Using Multi-Parameter QSRR Models Based on IS-RPLC Retention Behavior in a Wide pH Range

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Quantitative structure –retention relationship modeling of selected antipsychotics and their impurities in green liquid chromatography using cyclodextrin mobile phases

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Investigating the role of weight update functions in developing artificial neural network modeling of retention times of furan and phenol derivatives

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Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography

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Quantitative Structure–Retention Relationship Analysis of Polycyclic Aromatic Compounds in Ultra-High Performance Chromatography

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Quantitative Structure Retention-Relationship Modeling: Towards an Innovative General-Purpose Strategy

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Different Approaches of Quantitative Structure Retention Relationship of Small Molecules in Liquid Chromatography(QSRR)

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New Findings from National Institute of Pharmaceutical Education and Research in the Area of Antidiabetic Agents Reported [Support Vector Models-based Quantitative Structure-retention Relationship (Qs...

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QSRR modeling of the chromatographic retention behavior of some quinolone and sulfonamide antibacterial agents using firefly algorithm coupled to support vector machine

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Quantitative Structure–Retention Relationships with Non-Linear Programming for Prediction of Chromatographic Elution Order

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Application of Biomimetic Chromatography and QSRR Approach for Characterizing Organophosphate Pesticides

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QSRR Modeling for Metabolite Standards Analyzed by Two Different Chromatographic Columns Using Multiple Linear Regression

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Chemometric studies of polycyclic aromatic hydrocarbon shape selectivity in reversed-phase liquid chromatography

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Application of artificial intelligence to quantitative structure–retention relationship calculations in chromatography Application of artificial intelligence to quantitative structure–retention relati...

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Quantitative structure-retention relationship prediction of Kováts retention index of some organic acids

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Volatile Constituents of Cymbopogon citratus (DC.) Stapf Grown in Greenhouse in Serbia: Chemical Analysis and Chemometrics

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Theoretical analysis on retention behavior of pigments in reversed-phase high-performance liquid chromatographic (HPLC)

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