. 2015 May 16;7:19. doi: 10.1186/s13321-015-0066-6

Table 1.

Parameters of fitted dose–response curves of predictions by NEF

Compounds	E_max (%)^a	E_min (%)^a	EC50 (μM)^b	n	R²	EC50e (μM)^b
Caffeic acid	99.49	0.28	30.20	0.98	0.99994	17.35
Coumarin	99.99	0.85	52.95	1.12	0.99996	49.14
Isochlorogenic acid B	111.20	−3.63	116.16	0.56	0.9998	96.82
Protocatechuic acid	101.18	−1.46	42.82	0.77	0.99995	46.34
Scopoletin	100.72	0.60	45.48	1.01	0.99994	38.46

^aE_max and E_min were the top and bottom asymptotes of the response, respectively. ^bEC50 and EC50e were the concentration of inhibitor at half-maximal effect calculated by predictions and experimental results, respectively