To address these challenges using our explosophore-based approach on tetrazole HEMs, several considerations were made to adequately parameterize the structural and electronic properties of the tetrazoles in our study: 1) tetrazoles have two different substitution patterns, 2) tetrazoles can bear a plethora of substituents that significantly influence their energetic properties, and 3) many of the tetrazoles in our dataset contain multiple tetrazole explosophores. To adequately parametrize both tetrazole substitution patterns, we constructed descriptors based on a mechanistic analysis of reported decomposition mechanisms of 1,5-and 2,5-tetrazoles and devised a numbering scheme for shared bonds and common features for tetrazoles of either substitution pattern (Figure and 4B). Notably, several key features are maintained regardless of the tetrazole substitution pattern: the bond broken in a stepwise extrusion of molecular nitrogen is the single bond between N 2 and N 3 , a triple bond is formed between N 1 and N 2 in the liberation of nitrogen, N 3 substituted with R 1 and has a lone pair, and there is a double bond between C 4 and N . Recognition of these similarities allowed for a universal description of the tetrazole system through the framework of our descriptor collection workflow. In the case of symmetric ditetrazoles, both tetrazole moieties in each molecule were treated as equivalent and thus only one of the two tetrazoles was parameterized for modeling. This assumption of symmetry is validated by the analysis of the experimental crystal structures of these symmetric ditetrazoles, revealing that ten out of eleven constitutionally symmetric ditetrazoles in our crystal structure database are also structurally symmetric in the solid state. With these considerations in mind, we curated and parameterized several distinct tetrazole datasets to develop QSPRs for the decomposition temperature and impact sensitivity of these HEMs.