Skip to content

Conversation

johnmay
Copy link
Member

@johnmay johnmay commented Jan 29, 2025

Fixes #1024 - the Singlet/Double logic was the wrong way around

Copy link

@egonw egonw merged commit 0750f7b into main Jan 29, 2025
9 checks passed
@egonw
Copy link
Member

egonw commented Jan 29, 2025

I need to brush up my radical chemistry, but wasn't a triple actually two single electrons? I will merge for now.

@johnmay
Copy link
Member Author

johnmay commented Jan 29, 2025

Which is what I have set I think?

@egonw egonw deleted the inchi-radicals branch March 1, 2025 08:48
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

Generated MDL misses radical
2 participants