| Machine learning prediction of nine molecular properties based on the SMILES representation of the QM9 quantum-chemistry dataset GA Pinheiro, J Mucelini, MD Soares, RC Prati, JLF Da Silva, MG Quiles The Journal of Physical Chemistry A 124 (47), 9854-9866, 2020 | 87 | 2020 |
| Smiclr: Contrastive learning on multiple molecular representations for semisupervised and unsupervised representation learning GA Pinheiro, JLF Da Silva, MG Quiles Journal of Chemical Information and Modeling 62 (17), 3948-3960, 2022 | 19 | 2022 |
| Systematic investigation of error distribution in machine learning algorithms applied to the quantum-chemistry QM9 data set using the bias and variance decomposition L Cesar de Azevedo, GA Pinheiro, MG Quiles, JLF Da Silva, RC Prati Journal of Chemical Information and Modeling 61 (9), 4210-4223, 2021 | 6 | 2021 |
| Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining AS Moraes, GA Pinheiro, TC Lourenço, MC Lopes, MG Quiles, LG Dias, ... Journal of Chemical Information and Modeling 62 (19), 4702-4712, 2022 | 5 | 2022 |
| Modeling social and geopolitical disasters as extreme events: a case study considering the complex dynamics of international armed conflicts RR Rosa, J Neelakshi, GALL Pinheiro, PH Barchi, EH Shiguemori Towards mathematics, computers and environment: A disasters perspective, 233-254, 2019 | 4 | 2019 |
| A Graph-Based Clustering Analysis of the QM9 Dataset via SMILES Descriptors GA Pinheiro, JLF Da Silva, MD Soares, MG Quiles Computational Science and Its Applications–ICCSA 2020: 20th International …, 2020 | 2 | 2020 |
| The impact of low-cost molecular geometry optimization in property prediction via graph neural network GA Pinheiro, FV Calderan, JLF Da Silva, MG Quiles 2022 21st IEEE International Conference on Machine Learning and Applications …, 2022 | 1 | 2022 |
Juarez L. F. Da SilvaUniversity of São Paulo (USP), São Carlos Institute of Chemistry (IQSC), São Carlos, SP, BrazilE-mail confirmado em iqsc.usp.br
