For evaluating how well the generated molecules match the simulated chemist's goal, we use the score from the oracle, coined 'oracle score' to distinguish it from the from the score of a molecule in a scoring function. To reduce computation time in the experiments, we select queries sequentially in batches, by greedily selecting the 𝑛 𝑏𝑎𝑡𝑐ℎ best molecules according to a query strategy at iteration 𝑡. As a result, the performance of other methods may be underestimated compared to random sampling, because they will not be able to optimize their selection during a batch.