Corminboeuf 112 and Sunoj. Here, we illustrate the use of PythiaCHEM for predicting enantioselectivity in the Strecker reaction, one of the most widely used approaches to generate ↵-amino acids motifs. This reaction involves the addition of hydrogen cyanide to imines, resulting in the formation of an ↵-aminonitrile intermediate that, upon hydrolysis, yields the desired ↵-amino acid derivative (Figure ). Since the early 2000s, the Jacobsen group has extensively developed this reaction, achieving high yields and enantiomeric excess (ee) values exceeding 98%. For this class of reactions, we generated regression models to predict G ‡ . Our dataset consists of 99 reactions, comprising 63 substrates and 14 catalysts extracted from five publications (Figure ). The reactions were reported at four different temperatures -78, -75, -70 and -30 °C, using toluene as a solvent. The reported enantiomeric ration (e.r.)