Binding scores

[Jameel9]

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Dear Sir

I hope you are doing well

I did a virtual screening using a pretrained model (the code is shown below) and got a result table in which the binding scores are sorted in a descending scale (also shown below). what is the unit of these scores? (kd?). And why not sorted from lower to higher values?

Thanks

[Jameel9]

I actually added the argument to convert the scores convert_y = True and got the scores in the ascending order. Still want to be sure about the unit. Is it IC50 now (after conversion)?

thank you.

[kexinhuang12345]

Hi yes, without convert_y, it is in pKd, and with convert_y, it is the raw score. But in both cases, the rank should be the same.