Fig. 4From: MATEO: intermolecular α-amidoalkylation theoretical enantioselectivity optimization. Online tool for selection and design of chiral catalysts and productsHPTML eeR(%) observed vs. predicted values with Eq. 12 (R2 = 0.98) after applying both MC synthetic data and best Heuristic rule (ODMC + H1). Overall data for training and validation series. The reaction number from the database (See Additional file 2) has been included for selected examplesBack to article page