The development of robust QSAR models to predict the activity of molecules of β-secretase inhibitors is an area of interest due to the increase of Alzheimer’s disease in patients in the global populat
Identifying new compounds with minimal side effects to enhance patients’ quality of life is the ultimate goal of drug discovery. Due to the expensive and time-consuming nature of experimental investig
Imatinib, a 2-phenylaminopyridine-based BCR-ABL tyrosine kinase inhibitor, is a highly effective drug for treating Chronic Myeloid Leukemia (CML). However, cases of drug resistance are constantly emer
This file consists of a workflow of a prediction model for biological activity used in chemoinformatics, it consists of a simple but quite robust map for those who are initiating studies on rational d