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Figure 7
Top-k accuracies of the RF-based models for two independent test sets: (i) the AMCSD (Downs & Hall-Wallace, 2003BB10) data set containing 8253 compounds and (ii) the HEAC data set comprising 125 compounds.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 57| Part 4| August 2024| Pages 975-985
https://doi.org/10.1107/S1600576724004497
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