Hamza Age Daudo

Machine learning-guided QSAR screening of fluconazole analogs and FDA-approved drugs against Candida albicans, with docking, molecular dynamics, and ADMET analysis.

A machine learning-guided quantitative structure-activity relationship (QSAR) workflow was developed to prioritize fluconazole analogs and FDA-approved drugs with predicted antifungal activity against Candida, followed by a structure-based exploration of a cell wall target.