Thin-layer chromatography in quantitative structure-activity relationship studies
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 chromatographySource:
Journal of Liquid Chromatography & Related Technologies, 2018, 41, 6, 272-281Publisher:
- 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
Collections
Institution/Community
IHTMTY - 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 . .