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Page 1
The Impact of Interdisciplinary, Gender and Geographic Distributions on the Citation Patterns of the Journal of Chemical Information and Modeling.
J Chem Inf Model. 2024 Feb 26;64(4):1107-1111. doi: 10.1021/acs.jcim.3c02014. Epub 2024 Feb 12.
J Chem Inf Model. 2024.
PMID: 38346241
Machine Learning Prediction of Nine Molecular Properties Based on the SMILES Representation of the QM9 Quantum-Chemistry Dataset.
Pinheiro GA, Mucelini J, Soares MD, Prati RC, Da Silva JLF, Quiles MG.
Pinheiro GA, et al. Among authors: prati rc.
J Phys Chem A. 2020 Nov 25;124(47):9854-9866. doi: 10.1021/acs.jpca.0c05969. Epub 2020 Nov 11.
J Phys Chem A. 2020.
PMID: 33174750
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Correlation-Based Framework for Extraction of Insights from Quantum Chemistry Databases: Applications for Nanoclusters.
Mucelini J, Quiles MG, Prati RC, Da Silva JLF.
Mucelini J, et al. Among authors: prati rc.
J Chem Inf Model. 2021 Mar 22;61(3):1125-1135. doi: 10.1021/acs.jcim.0c01267. Epub 2021 Mar 8.
J Chem Inf Model. 2021.
PMID: 33685128
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Systematic Investigation of Error Distribution in Machine Learning Algorithms Applied to the Quantum-Chemistry QM9 Data Set Using the Bias and Variance Decomposition.
Cesar de Azevedo L, Pinheiro GA, Quiles MG, Da Silva JLF, Prati RC.
Cesar de Azevedo L, et al. Among authors: prati rc.
J Chem Inf Model. 2021 Sep 27;61(9):4210-4223. doi: 10.1021/acs.jcim.1c00503. Epub 2021 Aug 13.
J Chem Inf Model. 2021.
PMID: 34387994
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Ab initio insights into the structural, energetic, electronic, and stability properties of mixed CenZr15-nO30 nanoclusters.
Felício-Sousa P , Mucelini J , Zibordi-Besse L , Andriani KF , Seminovski Y , Prati RC , Da Silva JLF .
Felício-Sousa P , et al. Among authors: prati rc.
Phys Chem Chem Phys. 2019 Dec 11;21(48):26637-26646. doi: 10.1039/c9cp04762j.
Phys Chem Chem Phys. 2019.
PMID: 31774074
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Effect of Flattened Structures of Molecules and Materials on Machine Learning Model Training.
de Azevedo LC, Prati RC.
de Azevedo LC, et al. Among authors: prati rc.
J Chem Inf Model. 2023 Sep 11;63(17):5446-5456. doi: 10.1021/acs.jcim.3c00242. Epub 2023 Aug 25.
J Chem Inf Model. 2023.
PMID: 37625081
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