Abstract: Provided is a method to initiate and analyze chemical derivatives formed from pyrotechnic smoke reactions. Milligram quantities of a lab-scale pyrotechnic smoke composition are reacted by encapsulation with a metal probe that is rapidly heated, which then sublimes the organic dye, allowing for the testing of all of the gas-phase products for identification by pyrolysis-gas chromatography-mass spectrometry. The thermally decomposed ingredients and new side product derivatives are identified at lower relative abundances compared to the intact organic dye. Any remaining residues within the thermal probe are optionally reconstituted into solution for further analysis by liquid chromatography-mass spectrometry if desired. The results are processed via a machine learning quantitative structure-activity relationship model that provides data related to health and environmental hazards.