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Published in 2022 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.2c00666
Abstract: Imbalanced data sets in materials informatics are pervasive and pose a challenge to the development of classification models. This work investigates crystal point group prediction as an example of an imbalanced classification problem in materials…
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Keywords:
materials informatics;
techniques materials;
resampling techniques;
crystal point ... See more keywords