Impact Sensitivity Prediction from Conformational Searches: Tetrazole impact sensitivity was successfully modeled using the minimum energy conformer descriptor set (Figure ). This model yielded log(IS) predictions for 87% of the 31 tetrazoles within 0.39 of the experimental value with a training set MAE of 0.17. As in the model for Tdec (Figure ), the parameter X=X* maximum occupancy appears with a positive coefficient in the model for log(IS). The ave R L parameter is a Sterimol parameter that describes the average length of both substituents on each tetrazole. Three of the four log(IS) outliers (Figure , gray points) contained a 5-amino-1H-tetrazol-1-ol subunit and were predicted with a higher impact sensitivity than the experimental value, suggesting that this motif may result in intermolecular interactions not captured in the conformational search model. This is further supported by the log(IS) model based on the crystal structure (Figure ), which gave better predictions for all these three compounds (Figure ). The improved performance of the crystal structure model may be attributed to the Hirshfeld parameter de mean describing the average intermolecular distance between molecules in the solid state. The inclusion of the de mean term in this model supports the notion that tighter crystal packing increases the sensitivity of tetrazole HEMs.