In this study, Bayesian optimization algorithm was used to find the lowest energy conformation for a set of 572 molecules with one to six rotatable bonds selected from the dataset assembled by Ebejer et al. . Using this strategy, we have been able to incorporate our prior knowledge about torsion angle preferences extracted from crystal structures to accelerate the search for the lowest energy conformation. We find that, by inherently sampling all possible dihedral angles, this approach often finds lower energy minima even below those generated by systematic enumeration, and with far fewer conformations. For small numbers of rotatable bonds (e.g., 1-3), BOA frequently finds lower energy conformations compared to systematic search in Confab. As the search space increase, BOA still finds lower energy geometries ∼ 20 -40% of the time, despite many times fewer iterations.