Ghule, Siddharth; Dash, Soumya Ranjan; Bagchi, Sayan; Joshi, Kavita; Vanka, Kumar
(ACS Omega, 2022-03-29)
This study investigates four machine-learning (ML) models to predict the redox potentials of phenazine derivatives in dimethoxyethane using density functional theory (DFT). A small data set of 151 phenazine derivatives ...