Talukder et al. integrated docking, QSAR, and simulations to investigate EGFR-targeting phytochemicals in non-small cell lung cancer [12]; Kaur et al. developed BBB-permeable BACE-1 inhibitors for Alzheimer’s disease using 2D-QSAR, docking, ADMET, and MD [13]; Souza et al. combined ML approaches and QSAR to analyze SARS-CoV-2 Mpro inhibitors [14]; and Maliyakkal et al. applied QSAR-driven virtual screening to identify potential therapeutics against Trypanosoma cruzi [15]. This evidence concerns the gene BACE1 and Alzheimer disease.