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. 2024 Jan 15;15:426. doi: 10.1038/s41467-023-42145-1

Fig. 2. The retrospective test set used for optimization of the models.

Fig. 2

The conditions used for each test set molecule are shown below the corresponding structure. LSF = late stage functionalization. A quinidine—the standard Baran and Molander conditions, B loratadine—containing the widest variety of conditions indicative of its reactivity, C nevirapine—the standard Baran and Molander conditions, D lepidine—both zinc and sodium sulfinate Baran Diversinates™ are used, E imatinib—both zinc and sodium sulfinate Baran Diversinates™ are used.