We observed a similar rate in BOA search with both acquisition functions, EI and LCB. BOA search has a very high champion rate of 100% and 55% in molecules with one and two rotatable bonds, respectively. As expected, it decreases as the number of rotatable bonds increases. The champion rate is approximately 25% for molecules with three and four rotatable bonds, and 10% for molecules with five or more rotatable bonds. A key question here is how many samples are required to recover a better conformation and thus achieve a high recovery rate. We address the influence of the maximum number of evaluations in Section 4.2.