Results 101 to 110 of about 3,379 (242)

QSPR ANALYSIS OF TEMPERATURE RELATED AQUEOUS SOLUBILITY OF ORGANIC COMPOUNDS

, 2012
Вiсник Одеського нацiонального унiверситету = Вестник Одесского национального университетаРазработаны 2D-QSPR модели для прогноза растворимости органических соединений в воде при разных температурах.
Артеменко, А. Г., Огніченко, Л. М., Kuz'min, V. Е., Artemenko, A. G., Кузьмін, В. Є., Клименко, К. А., Кліменко, К. О., Огниченко, Л. Н., Горб, Л. Г., Ognichenko, L. N., Кузьмин, В. Е., Gorb, L. G., Klimenko, К. A.   +12 more
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Degree-based topological indices and QSPR analysis of Cytomegalovirus drugs

International Journal of Mathematics for Industry
This study examines several drugs employed in treating Cytomegalovirus (CMV) infections, including Cidofovir, Foscarnet, Ganciclovir, Maribavir, and Valganciclovir.
H. M. Nagesh
doaj   +1 more source

Exploring entropy measures with topological indices on colorectal cancer drugs using curvilinear regression analysis and machine learning approaches.

PLoS ONE
A topological index is a numerical value derived from the structure of a molecule or graph that provides useful information about the molecule's physical, chemical, or biological properties. These indices are especially important in chemo-informatics and
Maria Fazal, Salma Kanwal, Muhammad Taskeen Raza, Asima Razzaque   +3 more
doaj   +1 more source

Modeling benzene physicochemical properties using Zagreb upsilon indices

Open Chemistry
Quantitative structure–property relationship (QSPR) frameworks leverage topological indices to model the physicochemical attributes of molecular structures.
Çiftçi İdris, Yamaç Kerem, Denizler İsmail Hakkı   +2 more
doaj   +1 more source

Elucidating structure–property relationships of guar gum biomolecules: insights from M-polynomial and QSPR modeling

Frontiers in Chemistry
This study investigates the quantitative structure–property relationship (QSPR) modeling of guar gum biomolecules, focusing on their structural parameters.
Waheed Khalid, Shamaila Yousaf
doaj   +1 more source

QSPR analysis of carbon allotropes by employing molecular descriptors and information entropies

, 2023
M. P. Rahul, Joseph Clement
openalex   +1 more source

QSPR analysis for fluorescent properties of imidazole and pyrimidine derivatives

, 2017
У роботі було модифіковано метод аналізу, побудована консенсусна QSPR модель методом PLS на 20-рівні представлення молекулярної структури, що відображує залежність структура-властивість. Проведений дизайн молекул, для яких було проведено прогнозування
Стельмах, Сергій Ігорович
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Physicochemical profiling and ranking of parkinson’s disease drugs through QSPR and Fuzzy TOPSIS analysis

Scientific Reports
Parkinson’s disease is a progressive neurological disorder characterized by the degeneration of the nervous system, leading to impaired motor and non-motor functions.
YuLan Chen, Abdul Rauf, Aqsa Shafique, Fairouz Tchier, Adnan Aslam, Keneni Abera Tola   +5 more
doaj   +1 more source

Modeling The Physicochemical Characteristics of Benzene Compounds Through the Application of Zagreb Omicron Indices

Cumhuriyet Science Journal
The examination of quantitative structure-property relationship (QSPR) paradigms uses topological indices to explain the chemical and physical properties of molecular entities. In the current study, the analysis primarily focused on the omicron degree of
İdris Çiftçi
doaj   +1 more source

QSPR-Analysis of Certain Molecular Descriptors

Molecular descriptor is a number associated with the molecular graph. The applications ofmolecular descriptors in predicting the physcio-chemico properties of chemical compoundsframed a remarkable benchmark in the field of mathematical chemistry. In this paper, F-Somborindex(FSLI), sum connectivity Gourava index(SCGI), product connectivity Gouravaindex(
openaire   +2 more sources