Compound | α | β | R2 | RMSE | EC50 (mol/L) | pEC50 | ZEPa (mol/L) | ECbmin (mol/L) | Ecmin |
---|---|---|---|---|---|---|---|---|---|
BLB | 8.587 | 0.085 | 0.987 | 0.039 | 1.67E−05 | 4.777 | 1.4E−05 | 1.04E−05 | − 0.3023 |
TLB | 6.321 | 0.103 | 0.980 | 0.061 | 1.74E−01 | 0.759 | 1.56E−01 | 5.61E−02 | − 3.3966 |
BLC | 10.948 | 0.167 | 0.995 | 0.033 | 7.31E−03 | 2.136 | 6.32E−03 | 5.14E−03 | − 0.3005 |
CTE | 9.115 | 1.158 | 0.991 | 0.040 | 2.26E−05 | 4.646 | 1.91E−05 | 1.45E−05 | − 0.2369 |
DTC | 9.447 | − 0.091 | 0.977 | 0.069 | 2.75E−05 | 4.561 | 2.27E−05 | 1.61E−05 | − 0.2072 |
EE-ECL | 13.248 | − 0.074 | 0.999 | 0.043 | 7.93E−02 | 1.101 | 0.0746 | 0.0524 | − 4.9425 |
EE-ECmin | 24.979 | 1.077 | 0.960 | 0.309 | 6.93E−02 | 1.159 | 0.0670 | 0.0540 | − 5.8199 |
EE-ZEP | 7.781 | − 0.207 | 0.991 | 0.238 | 1.08E−01 | 0.968 | 0.0967 | 0.0534 | − 5.5992 |
EE-EC50 | 10.162 | 0.500 | 0.945 | 0.485 | 2.02E−01 | 0.695 | 0.186 | 0.120 | − 4.4265 |