Table 1.

Comparison with state-of-the-art approaches.

Method	VS	QED	SA	HAR (%)	Diversity
Reference	−7.550 (3.2e−2)	0.476 (7.7e−23)	3.453 (2.0e−5)	–	–
LiGANN	−6.144 (2.5e−269)	0.371 (0.0)	4.787 (1.9e−88)	23.8	0.655
3D-SBDD	−6.344 (1.2e−174)	0.502 (0.0)	3.912 (1.8e−39)	29.1	0.742
Pocket2Mol	−7.288 (2.9e−92)	0.563 (6.6e−233)	3.205 (1.4e−7)	54.2	0.688
Transformer	−7.385 (1.3e−33)	0.512 (1.6e−119)	2.756 (2.9e−11)	49.3	0.725
AlphaDrug	−7.393 (1.2e−29)	0.507 (1.1e−118)	2.620 (3.1e−14)	50.1	0.727
Decoys	−6.737 (2.1e−15)	0.539 (3.5e−66)	3.830 (5.0e−69)	29.6	0.739
CProMG	−7.644	0.741	2.884	55.5	0.757

Note: Boldface values represent the best values of the metric.