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Benzylation

This dataset reports the yield of undesired product (impurity) in an N-benzylation reaction. Four conditions of this reaction performed in a flow reactor can be controlled to minimize the yield of impurity. The dataset includes 73 samples with four parameters and one objective.

problem = opti.problems.Benzylation()

Reference

A.M. Schweidtmann, A.D. Clayton, N. Holmes, E. Bradford, R.A. Bourne, A.A. Lapkin. Machine learning meets continuous flow chemistry: Automated optimization towards the Pareto front of multiple objectives. Chem. Eng. J. 352 (2018) 277-282. DOI. Obtained from Olympus.