QSAR equations for activity against the U-937GTB line and H. contortus.

Equations 1 and 2 represent the QSAR models for activity against the U-937GTB line and H. contortus, respectively. The raw values of were transformed using the Box-Cox method, according to which y′ = yλ, where λ = 1.0 and −0.5 in equation 1 and 2, respectively. In equation 2, this transformation inverts the order of the data set. Therefore, the negative sign of the coefficient reflects a positive correlation between and the measured activity values. The Fc is the critical F-value at confidence level of 95%. “Rel” refers to the relative activity of the cyclotide in question compared to kalata B1.