"Systematic Investigation of Error Distribution in Machine Learning ..."

Luis Cesar de Azevedo et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00503

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type: Journal Article

metadata version: 2023-09-30

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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): 4210-4223 (2021)

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