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Journal of Chemical Information and Modeling|August 25, 2023
Effect of Flattened Structures of Molecules and Materials on Machine Learning Model TrainingLuis Cesar de Azevedo, Ronaldo C PratiJournal of Chemical Information and Modeling|March 9, 2021
Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for NanoclustersJohnatan Mucelini, Marcos G Quiles, Ronaldo C Prati, et al.ACS Omega|March 2, 2026
Pairwise Neural Networks for Ranking Molecular Structures Based on PropertiesRenato Frazzato Viana, Juarez L F Da Silva, Luis G Dias, et al.Journal of Chemical Information and Modeling|August 13, 2021
Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance DecompositionLuis Cesar de Azevedo, Gabriel A Pinheiro, Marcos G Quiles, et al.The Journal of Physical Chemistry. A|November 11, 2020
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry DatasetGabriel A Pinheiro, Johnatan Mucelini, Marinalva D Soares, et al.Journal of Chemical Information and Modeling|February 12, 2024
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and ModelingRonaldo C Prati, Bruno S M Rodrigues, Iberis Aragão, et al.ACS Omega|June 29, 2026
Combining DFT Calculations and Clustering Techniques to Screen Organic Monovalent Cations for Applications in Halide Perovskite Solar CellsGabriel C Bueno, Israel C Ribeiro, Iván Ornelas-Cruz, et al.Physical Chemistry Chemical Physics : PCCP|November 28, 2019
Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15-nO30 nanoclustersPriscilla Felício-Sousa, Johnatan Mucelini, Larissa Zibordi-Besse, et al.Pageof 1