TY - JOUR ID - 126646 TI - A note on QSPR analysis of total Zagreb and total Randić İndices of octanes JO - Eurasian Chemical Communications JA - ECC LA - en SN - 2717-0535 AU - Ediz, Süleyman AU - Çiftçi, Idris AU - Taş, Ziyattin AU - Cancan, Murat AU - Farahani, Mohammad Reza AU - Aldemir, Mehmet Serif AD - Faculty of Education, Van Yuzuncu Yıl University, Zeve Campus, Tuşba, 65080, Van, Turkey AD - Faculty of Science, Bingöl University, Turkey AD - Department of Applied Mathematics, Iran University of Science and Technology, Tehran, Iran Y1 - 2021 PY - 2021 VL - 3 IS - 2 SP - 139 EP - 145 KW - QSPR analysis KW - Zagreb indices KW - Randić index KW - k-total Zagreb indices KW - k-total Randić index DO - 10.22034/ecc.2021.271640.1132 N2 - Topological indices are important tools for QSPR researches. Wiener, Zagreb, and Randić indices are pioneers of topological indices as the most used topological indices in view of chemistry and chemical graph theory. These three topological indices have been used for modeling physical properties of octanes and other chemical molecules. We firstly define k-total distance degree notion, k-total Zagreb and k-total Randić indices in graph theory. We investigated the prediction power of 3-total Zagreb indices and 3-total Randić index by using some physical properties of octanes such as entropy, acentric factor, enthalpy of vaporizatian and standard enthalpy of vaporization. We showed that these 3-total distance degree based novel indices are possible tools for QSPR studies, which they give a reasonably good correlation greater than 0.92 for modeling acentric factor of octanes. We also showed that 3-total indices give a strong correlation with Wiener index and the second Zagreb index. UR - https://www.echemcom.com/article_126646.html L1 - https://www.echemcom.com/article_126646_77d39bcaff24c261cb8cf7a8f463ebb8.pdf ER -