Table 7. Comparison of average binding energy and Goldscore of AKR1B10 and reference inhibitor/hit1/hit2/hit3 complex.

Systems	Average binding energy (kJ/mol)	Gold fitness score
AKR1B10+inhibitora	−77.2	37.8
AKR1B10+hit 1	−90.3	68.5
AKR1B10+hit 2	−84.2	61.0
AKR1B10+hit 3	−77.5	54.0

^a Reference inhibitor; the most active compound in the training set, 7-hydroxy-2-(4-methoxyphenylimino)-2H-chromene-3-carboxylic acid benzylamide.