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Figure 6
Performance of noise-free XGBoost models applied to experimental data acquired on dsRNA in 5.0 mM MgCl2 (top row) and 500 mM KCl (bottom row), respectively, using Gaussian sampling from medium-error levels. The real experimental values were obtained by curve-fitting using an extended ensemble optimization method. The major groove width was not reported in previous work, so its real value is missing. However, the predicted major groove width is about 3.5 and 7.5 Å for 5.0 mM MgCl2 and 500 mM KCl, respectively. For experimental data, the trained models still recapitulate the real values as means of prediction distributions.

IUCrJ
Volume 7| Part 5| September 2020| Pages 870-880
ISSN: 2052-2525
https://doi.org/10.1107/S2052252520008830