Aug 2026
Deep learning-assisted virtual screening of a large chemical library for selective GSK3β inhibitors.
GSK3BMTPred, a multitask deep neural network model, was developed for simultaneous prediction of inhibitor classification and inhibitory potency and identified compounds showing stable interactions with key Adenosine Triphosphate (ATP) residues and favorable predicted absorption, distribution, metabolism, excretion, and toxicity properties.
Tanmaykumar Varma, Pradnya Kamble, Prabha Garg
· Molecular diversity · 0 citations