Concepedia

Gabriel A. Pinheiro

GA

4

Publications

190

Citations

4

H-Index

2020

Active since

Affiliations

Universidade de São Paulo(Current)

Universidade Federal de São Paulo

Universidade Federal do ABC

Gabriel A. Pinheiro is an author at Universidade de São Paulo specializing in quantum computing, molecular dynamics, and molecular simulation.

Top concepts

ChemistryBiophysicsEngineeringMachine LearningMolecular DesignNatural SciencesQuantum ChemistryQuantum ComputingMolecular DynamicsMolecular Modeling

Publications per year

2020–2022

4

Publications

4

Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset

Gabriel A. Pinheiro, Johnatan Mucelini, Marinalva Dias Soares et al. · The Journal of Physical Chemistry A · 2020 · 120 citations

Qm9 Quantum-chemistry Dataset, Engineering, Machine Learning +21

SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning

Gabriel A. Pinheiro, Juarez L. F. Da Silva, Marcos G. Quiles · Journal of Chemical Information and Modeling · 2022 · 42 citations

Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining

Alex S. Moraes, Gabriel A. Pinheiro, Tuanan C. Lourenço et al. · Journal of Chemical Information and Modeling · 2022 · 17 citations

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 et al. · Journal of Chemical Information and Modeling · 2021 · 11 citations

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