Publication in Artificial Intelligence Chemistry
Our research paper titled RedPred, a machine learning model for the prediction of redox reaction energies of the aqueous organic electrolytes is published in Artificial Intelligence Chemistry. In this study, we present RedPred, an ML model that predicts the redox reaction energies of molecules. RedPred comprises an ensemble of Artificial Neural Networks, Random Forests, and Graph Convolutional Networks, trained using the RedDB database. In addition, we released a user-friendly web tool with open-source code to promote software sustainability and broad use.