From Figure , it can be seen that the embeddings have had positive impacts on the results of the prediction. Without using embedding, the model has tendency to overestimate the smaller distances of samples that are close to the ground truth and underestimate bigger distances that are further away from the ground truth. Among the three embedding incorporated models, SDF was the model that had the predicted value closest to the true value line. DRFP and RXNFP show a similar pattern of overestimating closer routes and underestimating further routes like with no embedding model. However, with the SDF embedding,