Space Diversity. To further elucidate the role of Curriculum Objectives and the extent to which the agent retains acquired knowledge in downstream production tasks, the collected compounds from the CL Tanimoto experiments were pooled and the average Tanimoto similarity (compound and scaffold) to the reference ligand calculated for each epoch (Fig. ). The left subplot shows the gradual optimization of Tanimoto similarity for the "Low" and "High" scenarios, representing the Curriculum Phase. The right subplot shows the Tanimoto similarities for all the compounds collected in the Production Phase. In general, the compounds generated from the "High" Tanimoto experiments possess a greater Tanimoto similarity to the reference ligand than the "Low" Tanimoto experiments, as expected (see Supplementary Fig. for the distribution of Tanimoto similarities). Moreover, the gradual decrease in Tanimoto similarity at the scaffold level further supports the capability of CL to perform scaffold hopping (Fig. ). Interestingly, however, the difference is not drastic and can be explained by cross-referencing the training plots shown in Fig. . The "Low" Tanimoto experiments start at notably lower docking scores than the "High" Tanimoto scenario and suggests that the compounds collected at the beginning are those that happen to exhibit high Tanimoto similarity to the reference ligand. Consequently, the "Low" Tanimoto experiments generate less favourable compounds in the first 50 epochs when the Production Objective is activated (Supplementary Fig. ).