Dear all,
I'm setting up a small library of 2D pharmacophore fingerprints. Although I
understand the theory behind 2D pharmacophores, this is the first time I've
worked with them and therefore I would appreciate your wisdom/guidance.
I'm using the example code from the rdkit HTML
In answer to my own question, I found a post back in 2013. Adding
trianglePruneBins=False to SigFactory solved the problem. However, I'm still
unsure whether the definition file I used is fit for purpose.
Thanks
Anthony
From: Anthony Nash
Sent: 14 June 2021
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