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Thin-layer chromatography in quantitative structure-activity relationship studies

Authorized Users Only
2018
Authors
Milojković-Opsenica, Dušanka
Andrić, Filip
Šegan, Sandra
Trifković, Jelena
Tešić, Živoslav
Article (Published version)
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Abstract
The methods of correlating molecular structure of substances expressed as descriptors, to their biological activity are commonly denoted as Quantitative Structure-Activity Relationships (QSARs). This concept, typically applied in drug discovery processes, is also widely used for correlation of molecular structure and physicochemical properties of solutes in so-called quantitative structure-property relationship (QSPR) studies, as well as for explanation of chromatographic behavior, i.e., separation mechanisms of analytes, where is termed as quantitative structure-retention relationship (QSRR). Mathematical expressions of structural characteristics of substances, named as molecular descriptors, can be calculated by various computational techniques or experimentally determined by different analytical methods. Thin-layer chromatography as a rapid, sensitive, and economical liquid chromatographic method has been widely used for determination of various chromatographic descriptors applicabl...e in QSAR/QSPR studies. An overview of recently published papers dealing with this concept is presented. [GRAPHICS] .

Keywords:
Molecular descriptors / quantitative structure-activity / property relationships / statistical evaluation / thin-layer chromatography
Source:
Journal of Liquid Chromatography & Related Technologies, 2018, 41, 6, 272-281
Publisher:
  • Taylor & Francis Inc, Philadelphia
Funding / projects:
  • Structure-properties relationships of natural and synthetic molecules and their metal complexes (RS-172017)

DOI: 10.1080/10826076.2018.1447892

ISSN: 1082-6076

WoS: 000433144300003

Scopus: 2-s2.0-85047494333
[ Google Scholar ]
5
5
URI
https://cer.ihtm.bg.ac.rs/handle/123456789/2475
Collections
  • Radovi istraživača / Researchers' publications
Institution/Community
IHTM
TY  - JOUR
AU  - Milojković-Opsenica, Dušanka
AU  - Andrić, Filip
AU  - Šegan, Sandra
AU  - Trifković, Jelena
AU  - Tešić, Živoslav
PY  - 2018
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/2475
AB  - The methods of correlating molecular structure of substances expressed as descriptors, to their biological activity are commonly denoted as Quantitative Structure-Activity Relationships (QSARs). This concept, typically applied in drug discovery processes, is also widely used for correlation of molecular structure and physicochemical properties of solutes in so-called quantitative structure-property relationship (QSPR) studies, as well as for explanation of chromatographic behavior, i.e., separation mechanisms of analytes, where is termed as quantitative structure-retention relationship (QSRR). Mathematical expressions of structural characteristics of substances, named as molecular descriptors, can be calculated by various computational techniques or experimentally determined by different analytical methods. Thin-layer chromatography as a rapid, sensitive, and economical liquid chromatographic method has been widely used for determination of various chromatographic descriptors applicable in QSAR/QSPR studies. An overview of recently published papers dealing with this concept is presented. [GRAPHICS] .
PB  - Taylor & Francis Inc, Philadelphia
T2  - Journal of Liquid Chromatography & Related Technologies
T1  - Thin-layer chromatography in quantitative structure-activity relationship studies
VL  - 41
IS  - 6
SP  - 272
EP  - 281
DO  - 10.1080/10826076.2018.1447892
ER  - 
@article{
author = "Milojković-Opsenica, Dušanka and Andrić, Filip and Šegan, Sandra and Trifković, Jelena and Tešić, Živoslav",
year = "2018",
abstract = "The methods of correlating molecular structure of substances expressed as descriptors, to their biological activity are commonly denoted as Quantitative Structure-Activity Relationships (QSARs). This concept, typically applied in drug discovery processes, is also widely used for correlation of molecular structure and physicochemical properties of solutes in so-called quantitative structure-property relationship (QSPR) studies, as well as for explanation of chromatographic behavior, i.e., separation mechanisms of analytes, where is termed as quantitative structure-retention relationship (QSRR). Mathematical expressions of structural characteristics of substances, named as molecular descriptors, can be calculated by various computational techniques or experimentally determined by different analytical methods. Thin-layer chromatography as a rapid, sensitive, and economical liquid chromatographic method has been widely used for determination of various chromatographic descriptors applicable in QSAR/QSPR studies. An overview of recently published papers dealing with this concept is presented. [GRAPHICS] .",
publisher = "Taylor & Francis Inc, Philadelphia",
journal = "Journal of Liquid Chromatography & Related Technologies",
title = "Thin-layer chromatography in quantitative structure-activity relationship studies",
volume = "41",
number = "6",
pages = "272-281",
doi = "10.1080/10826076.2018.1447892"
}
Milojković-Opsenica, D., Andrić, F., Šegan, S., Trifković, J.,& Tešić, Ž.. (2018). Thin-layer chromatography in quantitative structure-activity relationship studies. in Journal of Liquid Chromatography & Related Technologies
Taylor & Francis Inc, Philadelphia., 41(6), 272-281.
https://doi.org/10.1080/10826076.2018.1447892
Milojković-Opsenica D, Andrić F, Šegan S, Trifković J, Tešić Ž. Thin-layer chromatography in quantitative structure-activity relationship studies. in Journal of Liquid Chromatography & Related Technologies. 2018;41(6):272-281.
doi:10.1080/10826076.2018.1447892 .
Milojković-Opsenica, Dušanka, Andrić, Filip, Šegan, Sandra, Trifković, Jelena, Tešić, Živoslav, "Thin-layer chromatography in quantitative structure-activity relationship studies" in Journal of Liquid Chromatography & Related Technologies, 41, no. 6 (2018):272-281,
https://doi.org/10.1080/10826076.2018.1447892 . .

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