Journal of chemical information and modelingAntiviral AgentsMachine LearningQuantitative Structure-Activity RelationshipChemical Phenomena
A Graph-Based Machine Learning Framework for Predicting Physicochemical Properties of Antiviral Drugs via Topological Indices.
Irfan Haider, Mingchu Li, Muhammad Kamran Jamil, Anly Li
Published: 202510.1021/acs.jcim.5c01125
Abstract
This research develops a two-stage machine learning framework for predicting physicochemical properties of antiviral drugs through quantitative structure-property relationship (QSPR) modeling. We analyzed a diverse data set of 59 antiviral compounds,…
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