Hi Jan,
I'm not aware of an implementation of atom mapping for reactions based on
the RDKit.
-greg
On Wed, Oct 4, 2017 at 9:03 AM, Jan Halborg Jensen <jhjen...@chem.ku.dk>
wrote:
> I just came across this paper http://pubs.acs.org/doi/
> abs/10.1021/acs.jctc.7b00764 which presents an variant of the Fewest
> Bonds First with Constructive Count Vector method by Crabtree and Mehta (
> https://dl.acm.org/citation.cfm?id=1498697)
>
> Has anyone implemented anything similar in with RDKit?
>
> I'd also be interested in any other atom mapping code using RDKit
>
> Best regards, Jan
>
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