Machine learning models with different cheminformatics data sets to forecast the power conversion efficiency of organic solar cells

Omar A. Alvarez-Gonzaga, Ulises A. Vergara-Beltran, Juan I. Rodriguez

Random Forest (RF) and Gradient Boosting Regression Trees (GBRT) regression models along with three cheminformatics data sets (RDkit, Mordred, Morgan) have been used to predict the…