A Bayesian algorithm for retrosynthesis

1 code implementation • 6 Mar 2020 • Zhongliang Guo, Stephen Wu, Mitsuru Ohno, Ryo Yoshida

The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limited fraction of the entire reaction space.

Bayesian Inference Combinatorial Optimization +1