However, these descriptors necessitate additional computational resources and an in-depth theoretical understanding of electronic structure calculations. Consequently, there is growing interest in employing SMILES as input for ML applications . SMILES is a single-line molecular notation system that does not require any further (pre-processing) DFT calculations. Since ML models cannot process categorical variables in string format, these must be converted into numerical values. To achieve this, we explored three distinct methods, which are outlined below.