Year 2019, Volume 8, Issue 2, Pages 466 - 471 2019-06-28

Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression
Çoklu Doğrusal Regresyon Kullanılarak Monokarboksilik Asitlerin Bazı Termodinamik Özelliklerin Belirlenmesi

Özge ÇOLAKOĞLU HAVARE [1]

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Topological indices are the numerical descriptor of a molecular structure obtained via molecular graph G. Topological indices are used for studying the properties of molecules such as structure-property relationship (QSPR), structure-activity relationship (QSAR) and structural design in chemistry, nanotechnology, and pharmacology. Its main role is to work as a numerical molecular descriptor in QSAR/QSPR models. Moreover, physicochemical properties such as boiling point, enthalpy of vaporization, and stability could be envisaged by QSAR/QSPR models. In this study, the QSPR (Quantitative Structure Property Relationship) model is designed using the Forgotten topological index, the Forgotten coindex, the max-min Rodeg index, and the inverse sum indeg index to predict the thermodynamic properties of monocarboxylic acids. The relationship analysis between the thermodynamic properties and the topological indices was done by using the multiple linear regression method.

Topolojik indeksler, moleküler G grafı aracılığıyla elde edilmiş moleküler yapının nümeriksel tanımlayıcısıdır. Topolojik indeksler, yapı-özellik ilişkisi (QSPR), yapı-aktivite ilişkisi (QSAR) ve kimya, nanoteknoloji ve farmakolojideki yapısal tasarım gibi moleküllerin özelliklerini incelemek için kullanılır. Başlıca görevi QSAR / QSPR modellerinde sayısal bir moleküler tanımlayıcı olarak çalışmaktır. Üstelik kaynama noktası, buharlaşma ve kararlılık entalpisi gibi fizikokimyasal özellikler, QSAR / QSPR modelleri ile öngörülebilir. Bu çalışmada, tek karbonlu asitlerin termodinamik özelliklerini tahmin etmek için Forgotten topolojik indeks, Forgotten coindex, max-min Rodeg indeksi ve ters toplam indeg indeksi kullanılarak QSPR (Nicel Yapı - Özellik İlişkisi) modeli tasarlanmıştır. Termodinamik özellikler ile topolojik indeksler arasındaki ilişki analizi çoklu doğrusal regresyon yöntemi kullanılarak yapıldı.

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Primary Language en
Journal Section Araştırma Makalesi
Authors

Author: Özge ÇOLAKOĞLU HAVARE (Primary Author)
Country: Turkey


Dates

Publication Date: June 28, 2019

Bibtex @research article { bitlisfen500500, journal = {Bitlis Eren Üniversitesi Fen Bilimleri Dergisi}, issn = {2147-3129}, eissn = {2147-3188}, address = {Bitlis Eren University}, year = {2019}, volume = {8}, pages = {466 - 471}, doi = {10.17798/bitlisfen.500500}, title = {Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression}, key = {cite}, author = {ÇOLAKOĞLU HAVARE, Özge} }
APA ÇOLAKOĞLU HAVARE, Ö . (2019). Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi, 8 (2), 466-471. DOI: 10.17798/bitlisfen.500500
MLA ÇOLAKOĞLU HAVARE, Ö . "Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 (2019): 466-471 <http://dergipark.org.tr/bitlisfen/issue/46476/500500>
Chicago ÇOLAKOĞLU HAVARE, Ö . "Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 (2019): 466-471
RIS TY - JOUR T1 - Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression AU - Özge ÇOLAKOĞLU HAVARE Y1 - 2019 PY - 2019 N1 - doi: 10.17798/bitlisfen.500500 DO - 10.17798/bitlisfen.500500 T2 - Bitlis Eren Üniversitesi Fen Bilimleri Dergisi JF - Journal JO - JOR SP - 466 EP - 471 VL - 8 IS - 2 SN - 2147-3129-2147-3188 M3 - doi: 10.17798/bitlisfen.500500 UR - https://doi.org/10.17798/bitlisfen.500500 Y2 - 2019 ER -
EndNote %0 Bitlis Eren Üniversitesi Fen Bilimleri Dergisi Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression %A Özge ÇOLAKOĞLU HAVARE %T Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression %D 2019 %J Bitlis Eren Üniversitesi Fen Bilimleri Dergisi %P 2147-3129-2147-3188 %V 8 %N 2 %R doi: 10.17798/bitlisfen.500500 %U 10.17798/bitlisfen.500500
ISNAD ÇOLAKOĞLU HAVARE, Özge . "Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression". Bitlis Eren Üniversitesi Fen Bilimleri Dergisi 8 / 2 (June 2019): 466-471. https://doi.org/10.17798/bitlisfen.500500
AMA ÇOLAKOĞLU HAVARE Ö . Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2019; 8(2): 466-471.
Vancouver ÇOLAKOĞLU HAVARE Ö . Determination of Some Thermodynamic Properties of Monocarboxylic Acids using Multiple Linear Regression. Bitlis Eren Üniversitesi Fen Bilimleri Dergisi. 2019; 8(2): 471-466.