The impact of low-cost molecular geometry optimization in property prediction via graph neural network. - Gabriel A. Pinheiro; Felipe V. Calderan; Juarez L. F. Da Silva; Marcos G. Quiles (ICMLA, 2022)

Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles. - João Paulo Almeida de Mendonça; Felipe V. Calderan; Tuanan C. Lourenço; Marcos G. Quiles; Juarez L. F. Da Silva (J. Chem. Inf. Model., 2022)

Guided Clustering for Selecting Representatives Samples in Chemical Databases. - Felipe V. Calderan; João Paulo Almeida de Mendonça; Juarez L. F. Da Silva; Marcos G. Quiles (ICCSA (Workshops 8), 2023)