Fig. 5: Virtual screening of highly selective CCAs using the knowledge transfer model and experimental verifications. | Nature Communications

Fig. 5: Virtual screening of highly selective CCAs using the knowledge transfer model and experimental verifications.

From: Data-driven design of new chiral carboxylic acid for construction of indoles with C-central and C–N axial chirality via cobalt catalysis

Fig. 5

a Designed structures of the 360 candidate CCAs. b Distribution of the predicted enantioselectivities. c Predicted and experimental enantioselectivities of the Top-3 CCAs. d Predicted and experimental enantioselectivities of CCAs with medium performances. Source data are presented in the Source_Data.

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