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See the preprint from Wenhao Gao here: https://arxiv.org/pdf/2002.07007

Covered by Derek Lowe on In the Pipeline: https://blogs.sciencemag.org/pipeline/archives/2019/10/02/automated-discovery Part 1: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201909987 Part 2: https://onlinelibrary.wiley.com/doi/abs/10.1002/anie.201909989