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. 2023 Sep 29;63(20):6396–6411. doi: 10.1021/acs.jcim.3c00939

Table 4. Prospective Pharmacophore Model Performance Based on Bioactivity Results.

Model (Found inhibitor) Tested virtual hits Active virtual hits Number of active hits Hit rate (%)
SB1 4 SC45 1 25
SB2 3 SC23 1 33.3
LB3 5 SC45 1 20
LB6 5 SC32, SC34, SC37 3 60
LB7 4 SC22 1 25
LB8 3 SC27 1 33.3
LB9 4 0 0 0
LB10 4 SC25 1 25
LB11 3 SC34 1 33.3
DS2 2 SC34 1 50
DS5 4 SC24 1 25
DS8 2 SC24 1 50
DS9 5 SC6, SC14, SC24, SC25 4 80
DS12 3 SC25 1 33.3