This work used the sigmoid activation function as the baseline model to compare the performances achieved using different molecular representations. In future work, other activations functions, such as the Leaky ReLU, can be compared against the sigmoid function. The new potential molecules obtained from this model also have to be tested. Simulations have to be carried out to validate new DES mixtures. Nonetheless, these DES mixtures also require additional information to be simulated as a mixture. These limitations can be explored in future work with GNN models to predict the missing properties required in a simulation framework.