Fig. 2: Machine learning enantioselectivity prediction for the Cp*Co(III)/CCA-catalyzed C–H alkylation of indoles with central chirality. | Nature Communications

Fig. 2: Machine learning enantioselectivity prediction for the Cp*Co(III)/CCA-catalyzed C–H alkylation of indoles with central chirality.

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. 2

a Overview of accumulated data of Cp*Co(III)/CCA-catalyzed asymmetric C−H alkylation of indoles with central chirality. b Reaction encodings and highlighted descriptors of steric and electronic effect using CCA as an example. c Regression performances of various algorithms in 10-fold cross validation. d Performance of enantioselectivity predictions using LSVR model. Source data are presented in the Source_Data.

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