Integrating Molecular Design and Machine Learning for Predictive Modeling of Novel DPP-IV Inhibitors in Diabetes Mellitus
The current investigation focuses on the creation of a supervised machine learning model targeting dipeptidyl peptidase-IV(DPP-IV) associated with diabetes mellitus (DM) for expedited drug discovery. A Random Forest regression model was built utilizing molecular fingerprints to anticipate biological activity (pIC₅₀) us...