An active learning workflow produces the largest public database of CHNO explosives and a surrogate model that predicts detonation performance with R² > 0.98, identifying oxygen balance as the main driver.
# relative to CHEETAH. 12 Figure S18 – SHAP scores for the prediction of 𝑉!
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Active Learning for Generalizable Detonation Performance Prediction of Energetic Materials
An active learning workflow produces the largest public database of CHNO explosives and a surrogate model that predicts detonation performance with R² > 0.98, identifying oxygen balance as the main driver.