Table 2. Datasets of our collected dopamine receptor D1, D2, D3 and D4 selective ligands against another subtype.

Dopamine receptor subtype	Selectivity against the second subtype	Number of subtype selective ligands against the second subtype	Range of binding affinity ratio	Mean of binding affinity ratio
D1	D2	97	10–4533	359
	D3	21	11–559	122
	D4	29	11–4600	770
D2	D1	43	10–3707	337
	D3	37	10–615	66
	D4	63	10–1851	113
D3	D1	48	17–38461	3863
	D2	99	10–6666	259
	D4	85	10–9111	950
D4	D1	27	13–4761	1315
	D2	408	10–10752	2962
	D3	207	10–51162	1175

The binding affinity ratio is the experimentally measured binding affinity to the second subtype divided by that to the first subtype: (Ki of the second subtype / Ki of the first subtype). This dataset was used as positive samples for testing subtype selectivity of our developed virtual screening models.