This study explored machine learning algorithms to classify single compounds, binary, ternary, and quaternary mixtures by the compound name, and the compound’s class, using seized drugs and common diluents as a model.
The accuracies were ≥ 93% for most pure, binary mixtures, and quaternary mixtures algorithms. Therefore, incorporating machine learning algorithms in portable instruments, can improve the detection of unknown substances with high accuracies. (Publisher abstract provided)
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Article appears in Chemical Physics Letters, 2022, Volume 787, Article 139283