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Figure 4
(From left to right) Observed and predicted target variables taking ensemble averaging of 139 (Eform problem), 57 (Lconst problem) and 59 (TC problem) best prediction models including similarity measure information. Ensemble models yield PAs with R2 scores of 0.982 (MAE: 0.101 eV) for predicting the Eform problem, 0.992 (MAE: 0.011 Å) for predicting the Lconst problem and 0.991 (MAE: 24.16 K) for predicting the TC problem.

IUCrJ
Volume 5| Part 6| November 2018| Pages 830-840
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518013519