2023
DOI: 10.1002/qua.27211
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QSPR analysis through graph models for predicting ADMET properties of antifungal drugs to treat fungal diseases

S. Thilsath Parveen,
B. J. Balamurugan

Abstract: The chemical structure of a drug is considered as a chemical graph where the vertex set is the set of atoms and the edge set is the set of bonds between the atoms. Fungi‐related diseases are becoming a more serious medical problem as a result of changes in the worldwide environment. In this article, the QSPR analysis is performed to predict the ADMET properties of the drugs used to treat fungal infections such as mucormycosis, blastomycosis, invasive candidiasis, talaromycosis, cryptococcus, neoformans, and… Show more

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