Bounds used for optimization of the free parameters, and the sets of optimal values.

The rate parameters (kx) were given a free range (10⁻⁶ to 10⁶). isoscale was allowed a 20% deviation from the expected value of 10. For the input functions, the minimum values min_x was given a range from zero to 20% of max, the steepness n_x was given a range from 0 to 2, and the EC50_x was given a free range for all doses used in the dataset from [15] (10⁻⁵ to 10³ nM), except for EC50₁ which was limited based on the EC50 of IR in [17]. corresponds to the optimal parameter set for the original dataset. corresponds to the optimal parameter set for the extended dataset.

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