Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition. - Luis Cesar de Azevedo; Gabriel A. Pinheiro; Marcos G. Quiles; Juarez L. F. Da Silva; Ronaldo C. Prati (J. Chem. Inf. Model., 2021)

Effect of Flattened Structures of Molecules and Materials on Machine Learning Model Training. - Luis Cesar de Azevedo; Ronaldo C. Prati (J. Chem. Inf. Model., 2023)