{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,19]],"date-time":"2026-09-19T17:35:50Z","timestamp":1789839350488,"version":"4.0.1"},"reference-count":23,"publisher":"Springer Science and Business Media LLC","issue":"1","license":[{"start":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T00:00:00Z","timestamp":1777507200000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"},{"start":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T00:00:00Z","timestamp":1782864000000},"content-version":"vor","delay-in-days":62,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0"}],"funder":[{"name":"Amrita Vishwa Vidyapeetham, Coimbatore"}],"content-domain":{"domain":["link.springer.com"],"crossmark-restriction":false},"short-container-title":["Sci Rep"],"DOI":"10.1038\/s41598-026-49132-8","type":"journal-article","created":{"date-parts":[[2026,4,30]],"date-time":"2026-04-30T03:54:58Z","timestamp":1777521298000},"update-policy":"https:\/\/doi.org\/10.1007\/springer_crossmark_policy","source":"Crossref","is-referenced-by-count":1,"title":["Predictive performance and QSPR analysis of SARS-CoV-2 and tuberculosis drugs using distance-based topological descriptors"],"prefix":"10.1038","volume":"16","author":[{"family":"Supriya","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Radha Rajamani","family":"Iyer","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"297","published-online":{"date-parts":[[2026,4,30]]},"reference":[{"key":"49132_CR1","doi-asserted-by":"publisher","DOI":"10.1201\/9781315139111","volume-title":"Chemical graph theory","author":"N Trinajstic","year":"2018","unstructured":"Trinajstic, N. Chemical graph theory (CRC Press, Florida, USA, 2018)."},{"key":"49132_CR2","volume-title":"Chemical graph theory","author":"N Trinajstic","year":"2019","unstructured":"Trinajstic, N. Chemical graph theory (CRC Press, Florida, USA, 2019)."},{"key":"49132_CR3","doi-asserted-by":"publisher","first-page":"17","DOI":"10.1021\/ja01193a005","volume":"69","author":"H Wiener","year":"1947","unstructured":"Wiener, H. Structural determination of paraffin boiling points. J. Am. Chem. Soc. 69, 17\u201320 (1947).","journal-title":"Journal of the American chemical society."},{"key":"49132_CR4","doi-asserted-by":"publisher","first-page":"399","DOI":"10.1016\/0009-2614(82)80009-2","volume":"89","author":"AT Balaban","year":"1982","unstructured":"Balaban, A. T. Highly discriminating distance based numerical descriptor. Chem. Phys. Lett. 89, 399\u2013404 (1982).","journal-title":"Chem. Phys. Lett."},{"key":"49132_CR5","doi-asserted-by":"publisher","first-page":"6609","DOI":"10.1021\/ja00856a001","volume":"97","author":"M Randic","year":"1975","unstructured":"Randic, M. Characterization of molecular branching. J. Am. Chem. Soc. 97, 6609\u20136615 (1975).","journal-title":"Journal of the American Chemical Society."},{"key":"49132_CR6","unstructured":"Hosoya, H. Topological index. A newly proposed quantity characterizing the topological nature of structural isomers of saturated hydrocarbons. Bull. Chem. Sos. Jpn. 44, 2332\u20132339 (1971)."},{"key":"49132_CR7","doi-asserted-by":"publisher","first-page":"386","DOI":"10.1016\/S0022-247X(02)00373-6","volume":"275","author":"S Gupta","year":"2002","unstructured":"Gupta, S., Singh, M. & Madan, A. Eccentric distance sum: A novel graph invariant for predicting biological and physical properties. J. Math. Anal. Appl.  275, 386\u2013401 (2002).","journal-title":"Journal of Mathematical Analysis and Applications."},{"key":"49132_CR8","first-page":"20","volume":"10","author":"S Chanda","year":"2025","unstructured":"Chanda, S. & Iyer, R. R. On the sombor index of sierpi\u0144ski and mycielskian graphs. Commun. Comb. Optimiz. 10, 20\u201356 (2025).","journal-title":"Communications in Combinatorics and Optimization"},{"key":"49132_CR9","doi-asserted-by":"publisher","first-page":"92","DOI":"10.47443\/dml.2021.s215","volume":"9","author":"MS Chithrabhanu","year":"2022","unstructured":"Chithrabhanu, M. S. & Somasundaram, K. Padmakar-ivan index of some types of perfect graphs. Discrete Math. Lett 9, 92\u201399 (2022).","journal-title":"Discrete Math. Lett"},{"key":"49132_CR10","doi-asserted-by":"publisher","first-page":"1107","DOI":"10.2174\/1570180819666220620101333","volume":"20","author":"AH Vyshnavi","year":"2023","unstructured":"Vyshnavi, A. H. & Namboori, P. Association of sars-cov-2 infection and triple negative breast cancer (TNBC) a computational illustrative study. Lett. Drug Des. Discov. 20, 1107\u20131116 (2023).","journal-title":"Letters in Drug Design & Discovery."},{"key":"49132_CR11","doi-asserted-by":"publisher","first-page":"17","DOI":"10.3934\/mbe.2023769","volume":"20","author":"D Sarkarai","year":"2023","unstructured":"Sarkarai, D. & Desikan, K. Qspr\/qsar analysis of some eccentricity based topological descriptors of antiviral drugs used in covid-19 treatment via d$$\\varepsilon$$-polynomials. Math. Biosci. Eng 20, 17 (2023).","journal-title":"Math. Biosci. Eng"},{"key":"49132_CR12","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1038\/s41598-024-71916-z","volume":"14","author":"M Suresh","year":"2024","unstructured":"Suresh, M. et al. Qspr\/qsar study of antiviral drugs modeled as multigraphs by using ti\u2019s and mlr method to treat covid-19 disease. Sci. Rep. 14, 1\u201314 (2024).","journal-title":"Scientific reports"},{"key":"49132_CR13","doi-asserted-by":"publisher","first-page":"36568","DOI":"10.1038\/s41598-025-20539-z","volume":"15","author":"B Swapna","year":"2025","unstructured":"Swapna, B., Chetana, G., Shanmukha, M., Manjunath, G. & Usha, A. Chemical significance and degeneracy of weighted degree-based topological descriptor second davan index for octane isomers and computation of certain nanostructures. Sci. Rep. 15, 36568 (2025).","journal-title":"Scientific Reports"},{"key":"49132_CR14","first-page":"28728","volume":"9","author":"K Balasubramanian","year":"2017","unstructured":"Balasubramanian, K., Balachandran, S., Balachandar, S. & Venkatesh, S. Computing eccentric distance sum of dendrimers and nanotubes. Int. J. Pharm. Technol. 9, 28728\u201338 (2017).","journal-title":"Int. J. Pharm. Technol."},{"key":"49132_CR15","doi-asserted-by":"publisher","first-page":"590","DOI":"10.1016\/j.jmaa.2011.02.086","volume":"381","author":"A Ili\u0107","year":"2011","unstructured":"Ili\u0107, A., Yu, G. & Feng, L. On the eccentric distance sum of graphs. J. Math. Anal. Appl. 381, 590\u2013600 (2011).","journal-title":"Journal of Mathematical Analysis and Applications."},{"key":"49132_CR16","doi-asserted-by":"publisher","DOI":"10.1201\/9780429022944-14","volume-title":"Eccentric distance sum","author":"M Azari","year":"2020","unstructured":"Azari, M. & Iranmanesh, A. Eccentric distance sum (Apple Academic Press, Florida, USA, 2020)."},{"key":"49132_CR17","doi-asserted-by":"crossref","unstructured":"Chartrand, G., Johns, G.\u00a0L. & Tian, S. Detour distance in graphs, vol.\u00a055 (Elsevier, 1993).","DOI":"10.1016\/S0167-5060(08)70381-9"},{"key":"49132_CR18","doi-asserted-by":"publisher","first-page":"295","DOI":"10.1504\/IJCBDD.2014.066540","volume":"7","author":"development and evaluation","year":"2014","unstructured":"development and evaluation. Singh, M., Jangra, H., Bharatam, P. V. & Madan, A. Detour matrix-based adjacent path eccentric distance sum indices for qsar\/qspr. Part I. Int. J. Comput. Biol. Drug Des. 7, 295\u2013318 (2014).","journal-title":"International Journal of Computational Biology and Drug Design."},{"key":"49132_CR19","doi-asserted-by":"publisher","first-page":"1897","DOI":"10.3390\/sym17111897","volume":"17","author":"S Rajendran","year":"2025","unstructured":"Rajendran, S., Iyer, R. R., Asiri, A. & Somasundaram, K. Detour eccentric sum index for qspr modeling in molecular structures. Symmetry 17, 1897 (2025).","journal-title":"Symmetry"},{"key":"49132_CR20","doi-asserted-by":"crossref","unstructured":"Arockiaraj, M. et al. Qspr analysis of distance-based structural indices for drug compounds in tuberculosis treatment. Heliyon. 10 (2024).","DOI":"10.1016\/j.heliyon.2024.e23981"},{"key":"49132_CR21","unstructured":"Royal Society of Chemistry. Chemical structure database. http:\/\/www.chemspider.com\/. Accessed 12 Dec. 2025."},{"key":"49132_CR22","doi-asserted-by":"publisher","first-page":"1125246","DOI":"10.3389\/fimmu.2023.1125246","volume":"14","author":"Y Yuan","year":"2023","unstructured":"Yuan, Y., Jiao, B., Qu, L., Yang, D. & Liu, R. The development of covid-19 treatment. Front. Immunol. 14, 1125246 (2023).","journal-title":"Frontiers in immunology."},{"key":"49132_CR23","doi-asserted-by":"publisher","first-page":"5646","DOI":"10.5958\/0974-360X.2019.00977.6","volume":"12","author":"V Bhaskar","year":"2019","unstructured":"Bhaskar, V., Namboori, K. & Pappachen, L. K. In silico discovery of novel ligands for anti-tubercular targets using computer aided drug design. Res. J. Pharm. Technol. 12, 5646\u20135650 (2019).","journal-title":"Research Journal of Pharmacy and Technology."}],"container-title":["Scientific Reports"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.nature.com\/articles\/s41598-026-49132-8","content-type":"text\/html","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-026-49132-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/www.nature.com\/articles\/s41598-026-49132-8.pdf","content-type":"application\/pdf","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,7,1]],"date-time":"2026-07-01T14:36:14Z","timestamp":1782916574000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.nature.com\/articles\/s41598-026-49132-8"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,4,30]]},"references-count":23,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2026,12]]}},"alternative-id":["49132"],"URL":"https:\/\/doi.org\/10.1038\/s41598-026-49132-8","relation":{},"ISSN":["2045-2322"],"issn-type":[{"value":"2045-2322","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,4,30]]},"assertion":[{"value":"24 February 2026","order":1,"name":"received","label":"Received","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"13 April 2026","order":2,"name":"accepted","label":"Accepted","group":{"name":"ArticleHistory","label":"Article History"}},{"value":"30 April 2026","order":3,"name":"first_online","label":"First Online","group":{"name":"ArticleHistory","label":"Article History"}},{"order":1,"name":"Ethics","group":{"name":"EthicsHeading","label":"Declarations"}},{"value":"The authors declare no competing interests.","order":2,"name":"Ethics","group":{"name":"EthicsHeading","label":"Competing interests"}}],"article-number":"20043"}}