Re: [Rdkit-discuss] question on complexity of cannonization

[Andrew D. <da...@da...>]

On Jun 15, 2023, at 20:49, S Joshua Swamidass <swa...@gm...> wrote:
> 
> And what (generally speaking) is the algorithm used by rdkit? Do we know it's complexity?

https://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00543

"Get Your Atoms in Order—An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm"


				Andrew
				da...@da...