We have experimental results of the IC50 with the associated uncertainty value (+/-) for each compound since we did the calculation 3 times. So if we want to do QSAR modeling, is there any way to fix the values? Or keep them as they are presented with the +/- error?
We usually take the pIC50 for exact IC50 values without uncertainty.
Anish Gomatam
Usually it is recommended to compute average values across the three experimental readings for each molecule. You can then calculate the pIC50 values from the averages and use those as inputs for your QSAR model.
All the best!
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