Closed UnixJunkie closed 3 months ago
Hi there!
Currently, I understand the 3D-sensitive FCHL is being used.
I wonder if it would be doable to use any rdkit fingerprint instead.
Where should I be looking at to implement this change?
Thanks, Francois.
The algorithm takes data with a vectorial representation as input, which can be anything. It is not linked to FCHL or even to molecular representations.
Super cool, thanks!
Hi there!
Currently, I understand the 3D-sensitive FCHL is being used.
I wonder if it would be doable to use any rdkit fingerprint instead.
Where should I be looking at to implement this change?
Thanks, Francois.