Evaluating High-Variance Leaves as Uncertainty Measure for Random Forest Regression
Uncertainty measures estimate the reliability of a predictive model. Especially in the field of molecular property prediction as part of drug design, model reliability is crucial. Besides other techniques, Random Forests have a long tradition in machine learning related to chemoinformatics and are w...
Main Authors: | Thomas-Martin Dutschmann, Knut Baumann |
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Format: | Article |
Language: | English |
Published: |
MDPI AG
2021-10-01
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Series: | Molecules |
Subjects: | |
Online Access: | https://www.mdpi.com/1420-3049/26/21/6514 |
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