Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks.

Zhang, Q., Liu, C., Wu, S., Yoshida R., Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks. preprint. (2022)  DOI: https://doi.org/10.26434/chemrxiv-2022-5qpv9