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Fig. 2 | Journal of Cheminformatics

Fig. 2

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

Fig. 2

Activity threshold grid search. Searching the activity threshold grid for in-house (activity percentage compared to negative control) and public data (pChEMBL value). Model performance was measured using Matthews Correlation Coefficient (MCC), which was 0.48 for the final selected thresholds of < 70% for in-house data and pChEMBL > 8.5 for public data

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