{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,12]],"date-time":"2026-09-12T06:25:58Z","timestamp":1789194358276,"version":"build-2803163510"},"reference-count":43,"publisher":"Wiley","issue":"6","license":[{"start":{"date-parts":[[2026,6,7]],"date-time":"2026-06-07T00:00:00Z","timestamp":1780790400000},"content-version":"vor","delay-in-days":6,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["chemistry-europe.onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["ChemistryOpen"],"published-print":{"date-parts":[[2026,6]]},"abstract":"<jats:p>\n                    This work applies quantitative structure\u2013property relationship analysis to examine molecular characteristics linked to stiffness person syndrome (SPS), a rare neurological condition marked by persistent muscle rigidity and spasmodic episodes. Topological indices such as Zagreb indices and their modification are employed to examine their correlations with key physicochemical properties. Linear, quadratic, exponential growth, and power curve fitting models are applied to identify the best correlations, focusing on the maximum F\u2010statistic and the coefficient of determination R\n                    <jats:sup>2<\/jats:sup>\n                    . Furthermore, heatmap\u2010based correlation analysis is performed to visually quantify the strength and direction of correlations between the calculated topological indices and selected physicochemical parameters. In addition to classical regression techniques, gradient boosting, a powerful ensemble machine learning method, is utilized to enhance predictive accuracy and evaluate the contribution of each descriptor toward property estimation. Additionally, M\u2010polynomials are calculated, and their corresponding graphs are plotted to assess the structural features of potential therapeutic agents. The findings offer significant insights into the role of graph\u2010theoretical methods in drug discovery, advancing the computational design of targeted treatments for SPS.\n                  <\/jats:p>","DOI":"10.1002\/open.70239","type":"journal-article","created":{"date-parts":[[2026,6,8]],"date-time":"2026-06-08T06:51:39Z","timestamp":1780901499000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Graph\u2010Theoretical Approach for Predicting Physicochemical Properties of Stiff\u2010Person Syndrome Drugs"],"prefix":"10.1002","volume":"15","author":[{"ORCID":"https:\/\/orcid.org\/0009-0000-9310-3276","authenticated-orcid":false,"given":"Jabbar","family":"Ali","sequence":"first","affiliation":[{"name":"Department of Basic Sciences and Humanities College of Electrical and Mechanical Engineering National University of Sciences and Technology (NUST)  Rawalpindi Pakistan"},{"name":"Department of Computer Science National University of Modern Languages (NUML)  Rawalpindi Campus Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yasir","family":"Ali","sequence":"additional","affiliation":[{"name":"Department of Basic Sciences and Humanities College of Electrical and Mechanical Engineering National University of Sciences and Technology (NUST)  Rawalpindi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Maher Ali","family":"Malik","sequence":"additional","affiliation":[{"name":"Department of Basic Sciences and Humanities College of Electrical and Mechanical Engineering National University of Sciences and Technology (NUST)  Rawalpindi Pakistan"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2817-3400","authenticated-orcid":false,"given":"Yilun","family":"Shang","sequence":"additional","affiliation":[{"name":"School of Computer Science Northumbria University  Newcastle UK"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"311","published-online":{"date-parts":[[2026,6,7]]},"reference":[{"key":"e_1_2_8_2_1","unstructured":"https:\/\/www.medicalnewstoday.com\/articles\/stiff\u2010person\u2010syndrome."},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1136\/practneurol-2011-000071"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1097\/01.nrl.0000126587.37087.1a"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1007\/s11940-009-0013-9"},{"issue":"12","key":"e_1_2_8_6_1","first-page":"e11995","article-title":"Stiff\u2010Person Syndrome: A Treatment Update and New Directions","volume":"12","author":"Ortiz J. 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