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Fig. 3 | Journal of Cheminformatics

Fig. 3

From: Identification of novel small molecule inhibitors for solute carrier SGLT1 using proteochemometric modeling

Fig. 3

Chemical space of the selected compounds compared to the training and screening datasets. a The Diverse set (yellow) and Cluster set (green) are displayed compared to the training (orange and red) and Enamine screening set (blue). The Enamine set is represented by a random selection of 20,000 out of the total of 1,815,674 compounds (~ 1%) in the screening set to limit t-SNE calculation time. b The molecular weight and ALogP of the Diverse and Cluster set compared to the training and screening sets

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