Arianna Rinaldi

A Combined Chemoinformatics- and Machine Learning-Based Approach Identifies Chlormidazole as a Drug Repurposing Candidate against Aggressive Prostate Cancer

An integrated chemoinformatics and machine learning workflow with ligand-based similarity filtering is developed and prospectively validated, identifying chlormidazole as a promising repurposing candidate for PCa and demonstrating the value of integrating chemoinformatics with ML for drug repurposing and virtual screening.