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. 2019 Nov 5;10:1303. doi: 10.3389/fphar.2019.01303

Figure 4.

Figure 4

Process of reaction prediction on an exemplary target molecule [lidocaine (Reilly, 2009)]. Machine-learning methods are applied to, first, predict the synthetic feasibility of the molecule and, second, predict the chemical context leading to the best yield possible for the reaction.