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- W4386001814 abstract "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 so forth. The antifungal drugs posaconazole, isavuconazole, and amphotericin B and its analogs are considered to carry out the QSPR analysis. The domination numbers of these drugs are determined to correlate with their ADMET properties through cubic regression and the analysis suggests a high association between the domination numbers of drugs and their ADMET properties. The ADMET properties of the analog structures of the drug amphotericin B are also predicted in this QSPR analysis." @default.
- W4386001814 created "2023-08-20" @default.
- W4386001814 creator A5048881646 @default.
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- W4386001814 date "2023-08-19" @default.
- W4386001814 modified "2023-10-18" @default.
- W4386001814 title "<scp>QSPR</scp> analysis through graph models for predicting <scp>ADMET</scp> properties of antifungal drugs to treat fungal diseases" @default.
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- W4386001814 doi "https://doi.org/10.1002/qua.27211" @default.
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