Be aware of overfitting by hyperparameter optimization!

Summary

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Authors: Igor V. Tetko, Ruud van Deursen, Guillaume Godin

Journal title: Journal of Cheminformatics

Journal number: 16

Journal publisher: Chemistry Central

Published year: 2024

DOI identifier: 10.1186/s13321-024-00934-w

ISSN: 1758-2946