All RL-AL interventions show marginally lower hit scaffold diversity (Figure ), with an average pairwise similarity of 0.212±0.017 for the zero-weight update scheme vs 0.178±0.003 for the equal weights RL run. Since the impact of updating with zero-weights for surrogate compounds is so drastic, we perform all future experiments with this updating scheme (defined as RL-AL baseline, indicated by asterisks in Figure ).