Abstract: A computerized system for generating digital representations of natural deep eutectic solvents comprising: a training dataset having a plurality of natural deep eutectic solvents; a set of non-stable natural deep eutectic solvents generated by random variation of the number of components, random variation of the individual chemical component, random variation of the stoichiometric coefficient for each component and any combination thereof; a set of non-transitory computer readable instructions, that when executed by a process are adapted to: receive a training dataset having a set of compounds using the simplified molecular-input line-entry system and having a designation of stable (e.g., 1) or not stable (e.g., 0), pre-training a language model according to the training dataset, fine tuning the language model according to a subset of labeled DES data, applying a classifier, and, providing results in a textual format.