Next, we evaluate the effect of the strategy that is used to generate the recommended molecules. The analysis is shown in Table . We recall that the recommended structures are obtained either directly through decoding the computed embeddings or indirectly by identifying the closest embeddings from the pre-trained dataset. In particular, we are comparing the top-20 predictions, as ranked using the molecular weight criterion, through i) only the direct strategy, ii) only the indirect strategy, and, iii) the two strategies combined. According to the results, the indirect approach, that generates molecules through decoding the closest embeddings from the pre-trained dataset appears to have a larger contribution on the effectiveness of the method to generate relevant structures. However, combining the two strategies appears to slightly improve performance.