Chemical Catalog Sigma

[brandon-holt]

This is outside the scope of this repo, but was curious if either of you know who to reach out to at Sigma or where to access a list of SMILES for their chemical catalog?

[Scienfitz]

@brandon-holt
Not sure if this exists (even if it does, it might be purely internal and not all substances can even be represented by SMILES) but I'll have an ask around and get back to you!

[brandon-holt]

@Scienfitz Thank you!

[Scienfitz]

@brandon-holt so it seems there is no such list publicly available.

However, there is work on an API to be released at some (I don't know the details of the timeline) and I would imagine it comes with structure / SMILES info.