Gabriel A. Pinheiro

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 6

Top Topics

Cluster Membership

Sas Enterprise Miner

Bias Variance Decomposition

Top Venues

J. Chem. Inf. Model.

ICCSA (Workshops 9)

Publications

Marcos G. Quiles, Piero A. L. Ribeiro, Gabriel A. Pinheiro, Ronaldo C. Prati, Juarez L. F. Da Silva
Enhancing Low-Cost Molecular Property Prediction with Contrastive Learning on SMILES Representations. ICCSA (Workshops 9) (2024)
Gabriel A. Pinheiro, Felipe V. Calderan, Juarez L. F. Da Silva, Marcos G. Quiles
The impact of low-cost molecular geometry optimization in property prediction via graph neural network. ICMLA (2022)
Alex S. Moraes, Gabriel A. Pinheiro, Tuanan C. Lourenço, Mauro C. Lopes, Marcos G. Quiles, Luis Gustavo Dias, Juarez L. F. Da Silva
Screening of the Role of the Chemical Structure in the Electrochemical Stability Window of Ionic Liquids: DFT Calculations Combined with Data Mining. J. Chem. Inf. Model. 62 (19) (2022)
Gabriel A. Pinheiro, Juarez L. F. Da Silva, Marcos G. Quiles
SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. J. Chem. Inf. Model. 62 (17) (2022)
Luis Cesar de Azevedo, Gabriel A. Pinheiro, Marcos G. Quiles, Juarez L. F. Da Silva, Ronaldo C. Prati
Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition. J. Chem. Inf. Model. 61 (9) (2021)
Gabriel A. Pinheiro, Juarez L. F. Da Silva, Marinalva D. Soares, Marcos G. Quiles
A Graph-Based Clustering Analysis of the QM9 Dataset via SMILES Descriptors. ICCSA (1) (2020)