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Evaluating High-Variance Leaves as Uncertainty Measure for Random Forest Regression.
Molecules. 2021 Oct 28;26(21):6514. doi: 10.3390/molecules26216514.
Molecules. 2021.
PMID: 34770921
Free PMC article.
Large-scale evaluation of k-fold cross-validation ensembles for uncertainty estimation.
Dutschmann TM, Kinzel L, Ter Laak A, Baumann K.
Dutschmann TM, et al.
J Cheminform. 2023 Apr 28;15(1):49. doi: 10.1186/s13321-023-00709-9.
J Cheminform. 2023.
PMID: 37118768
Free PMC article.
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Chemoinformatic regression methods and their applicability domain.
Dutschmann TM, Schlenker V, Baumann K.
Dutschmann TM, et al.
Mol Inform. 2024 May 28:e202400018. doi: 10.1002/minf.202400018. Online ahead of print.
Mol Inform. 2024.
PMID: 38803302
Review.
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