Graph-Theoretical Approach for Predicting Physicochemical Properties of Stiff-Person Syndrome Drugs.

Jabbar Ali, Yasir Ali, Maher Ali Malik, Yilun Shang

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Article in ChemistryOpen, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

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4 authors.

Jabbar AliDepartment of Basic Sciences and Humanities, College of Electrical and Mechanical Engineering, National University of Sciences and Technology (NUST), Rawalpindi, Pakistan.ORCID 0009-0000-9310-3276

Yasir AliDepartment of Basic Sciences and Humanities, College of Electrical and Mechanical Engineering, National University of Sciences and Technology (NUST), Rawalpindi, Pakistan.

Maher Ali MalikDepartment of Basic Sciences and Humanities, College of Electrical and Mechanical Engineering, National University of Sciences and Technology (NUST), Rawalpindi, Pakistan.

Yilun ShangSchool of Computer Science, Northumbria University, Newcastle, UK.ORCID 0000-0002-2817-3400

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

This work applies quantitative structure-property 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-statistic and the coefficient of determination R

Indexed as

Stiff-Person SyndromeBoosting Machine Learning AlgorithmsDrug DiscoveryHumansPrediction AlgorithmsQuantitative Structure-Activity Relationshipglutamic acidgradient boostingheat mapleave‐one‐out cross‐validationM‐polynomialsquantitative structure–property relationship analysisstiff‐person syndrometopological indices

Identifiers

PMID42252848

DOI10.1002/open.70239

PMCPMC13243891

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LicenceCC BY

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Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.