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Marcos Gonçalves Quiles (Marcos G Quiles)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 9

Top Venues

Journal of chemical information and modeling

JMIR research protocols

The journal of physical chemistry. A

Universidade Federal de São Paulo

University of Sao Paulo (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universidade Federal de São Paulo Nov 1o 2009

Brazil

Associate Professor :: Ciencia e Tecnologia

Education History

University of Sao Paulo Mar 1o 2005 - Mar 24o 2009

Brazil

PHD :: ICMC

Publications

João Paulo A de Mendonça, Felipe V Calderan, Tuanan C Lourenço, Marcos Gonçalves Quiles, Juarez L F Da Silva
Theoretical Framework Based on Molecular Dynamics and Data Mining Analyses for the Study of Potential Energy Surfaces of Finite-Size Particles. Journal of chemical information and modeling 62 (22) (2022)
Gabriel A Pinheiro, Juarez L F Da Silva, Marcos Gonçalves Quiles
SMICLR: Contrastive Learning on Multiple Molecular Representations for Semisupervised and Unsupervised Representation Learning. Journal of chemical information and modeling 62 (17) (2022)
Alex S Moraes, Gabriel A Pinheiro, Tuanan C Lourenço, Mauro C Lopes, Marcos Gonçalves 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. Journal of chemical information and modeling 62 (19) (2022)
André F Oliveira, Juarez L F Da Silva, Marcos Gonçalves Quiles
Molecular Property Prediction and Molecular Design Using a Supervised Grammar Variational Autoencoder. Journal of chemical information and modeling 62 (4) (2022)
Luis Cesar de Azevedo, Gabriel A Pinheiro, Marcos Gonçalves 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. Journal of chemical information and modeling 61 (9) (2021)
Gabriel Ferraz Ferreira, Marcos Gonçalves Quiles, Tiago Santana Nazaré, Solange Oliveira Rezende, Marcelo Marcos Piva Demarzo
Automation of Article Selection Process in Systematic Reviews Through Artificial Neural Network Modeling and Machine Learning: Protocol for an Article Selection Model. JMIR research protocols 10 (6) (2021)
Johnatan Mucelini, Marcos Gonçalves Quiles, Ronaldo C Prati, Juarez L F Da Silva
Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for Nanoclusters. Journal of chemical information and modeling 61 (3) (2021)
Krys E A Batista, Marinalva D Soares, Marcos Gonçalves Quiles, Maurício J Piotrowski, Juarez L F Da Silva
Energy Decomposition to Access the Stability Changes Induced by CO Adsorption on Transition-Metal 13-Atom Clusters. Journal of chemical information and modeling 61 (5) (2021)
Gabriel A Pinheiro, Johnatan Mucelini, Marinalva D Soares, Ronaldo C Prati, Juarez L F Da Silva, Marcos Gonçalves Quiles
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset. The journal of physical chemistry. A 124 (47) (2020)

Marcos Gonçalves Quiles.css-eqlu8i{font-size:small;padding-left:4px;} (Marcos G Quiles)

Publication Activity (10 Years)

Top Topics

Top Venues

Marcos Gonçalves Quiles (Marcos G Quiles)