Morgan radius (paper vs code)

[RobKlyne]

Hi,

The paper states that fingerprints were calculated with a radius of 4, expanding to a radius of 10 if similarity was equal to 1. However, the code in the calc_similarities.ipynb starts with a radius of 2 and expands to 4 and 10 if the similarity is 1.0.

I just wanted to point this out to you.

Kind regards,

Rob

[JerryJohnsonLee]

Hi Rob,

Thank you very much for pointing this out. We will edit our manuscript to be consistent with the code here.

Best,
Jerry