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Predicting Physico-Chemical Properties of Anti-Cancer Drugs Using Distance-Based Topological Indices

Deepa Balasubramaniyan1, Natarajan Chidambaram1, Mohammad Reza Farahani2, Mehdi Alaeiyan2, Murat Cancan3
1Department of Mathematics, Srinivasa Ramanujan Centre, SASTRA Deemed to be University, Kumbakonam – 612 001.
2Department of Mathematics and Computer Science, Iran University of Science and Technology(IUST), Narmak Tehran 16844, Iran.
3Faculty of Education, Yuzuncu Yil University, van, Turkey.

Abstract

Topological Indices are one of the best molecular descriptors which are widely used in the study of structural properties of various chemicals. Also, they are very much useful in QSPR/QSAR studies. Among several topological indices, distance-based indices are emerging and attracted researchers across the world. In this article, we study the recently introduced sixteen different distance-based topological indices for eleven anti-cancer drugs and also performed QSPR analysis to identify the best predictors for the physico-chemical properties namely, Molar Refractivity, Complexity, Molar Volume, Heavy Atom Count, Monoisotopic Mass and Topological Polar Surface Area with the help of those computed values of the indices.

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Citation

Deepa Balasubramaniyan, Natarajan Chidambaram, Mohammad Reza Farahani, Mehdi Alaeiyan, Murat Cancan. Predicting Physico-Chemical Properties of Anti-Cancer Drugs Using Distance-Based Topological Indices[J], Archives Des Sciences, Volume 75 , Issue 1, 2025. 10-16. DOI: https://doi.org/10.62227/as/75103.