Table 3 Comparison of performance metrics, such as MSE, MAE, and CC, for AiGPro, compared to similar existing models. Bold text indicates the best result

STL-AG

EC₅₀

0.96

0.46

0.83

MTL-AG

EC₅₀

0.29

0.37

0.80

STL-ATG

EC₅₀

0.50

0.47

0.83

MTL-ATG

EC₅₀

0.27

0.35

0.83

MTL-AG-ATG

EC₅₀

0.24

0.30

0.85

MTL-AG-ATG-FS

EC₅₀

0.24

0.30

0.85

MTL-AG-ATG-M2V

EC₅₀

0.27

0.33

0.85

MTL-AG-ATG-M2V-FS

EC₅₀

0.27

0.33

0.84

Chemprop (Multi)

EC₅₀ & IC₅₀

0.57

0.54

0.86

AiGPro

EC₅₀ & IC₅₀

0.35

0.38

0.91

AiGPro (CV)

EC₅₀ & IC₅₀

0.363 (0.004)

0.409 (0.004)

0.907 (0.001)