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Journal Article
Journal Article
06/2017, ISBN 9780128053935, Volume 1
In view of linear free-energy relationships (LFER) chromatographic systems are "free-energy transducers," translating differences in the structure of analytes... 
Retention prediction | Quantitative structure-retention relationships | Proteomics | Immobilized-biomacromolecule stationary phases | Xenobiotics
Book Chapter
CHINESE JOURNAL OF ANALYTICAL CHEMISTRY, ISSN 0253-3820, 02/2007, Volume 35, Issue 2, pp. 227 - 232
Novel topological indices: Molecular Polarizabillty Effect Index (MPEI), Vertex Degree-Distance Index (VDI), Odd-Even Index (OEI), Steric Effect Index (SVij)... 
CHEMISTRY, ANALYTICAL | HYDROCARBONS | quantitative structure propenty relationship | STATIONARY PHASES | DIFFERENT POLARITY | ALDEHYDES | topological-quantum descriptors | ALCOHOLS | oxo compounds | KETONES | boiling points | retention indices | multiple linear regression
Journal Article
Journal of Chromatographic Science, ISSN 0021-9665, 8/2007, Volume 45, Issue 7, pp. 400 - 404
Journal Article
Journal of chromatography. A, 11/2015, Volume 1422, p. 277
A quantitative structure-property relationship (QSPR) was developed for modeling the retention index of 1184 flavor and fragrance compounds measured using a... 
Models, Theoretical | Reproducibility of Results | Molecular Conformation | Perfume - chemistry | Flavoring Agents - chemistry | Linear Models | Software | Chromatography, Gas | Chemistry Techniques, Analytical - methods | Quantitative Structure-Activity Relationship
Journal Article
Analytical Chemistry Letters, ISSN 2229-7928, 07/2016, Volume 6, Issue 4, pp. 371 - 383
In this work, quantitative structure-property relationship (QSPR) models for prediction of retention time (RT) of 47 volatile compounds in rosé wines on the... 
artificial neural network | Quantitative structure-property relationship | retention time | multiple linear regression
Journal Article
Journal Article
Tongji Daxue Xuebao/Journal of Tongji University, ISSN 0253-374X, 05/2006, Volume 34, Issue 5, pp. 642 - 645
Journal Article
Analytical Chemistry, ISSN 0003-2700, 1994, Volume 66, Issue 11, pp. 1799 - 1807
A general yet effective QSPR treatment on 152 individual structures incorporating a wide cross section of classes of organic compounds has given good... 
CHEMISTRY, ANALYTICAL | DESCRIPTORS | POLYCYCLIC AROMATIC-HYDROCARBONS | PYRAZINES | INDEXES | Gas chromatography | Chemistry, Analytic | Research | Quantitative
Journal Article
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