Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Decimer integration #2163

Open
nicolejung opened this issue Sep 19, 2024 · 1 comment
Open

Decimer integration #2163

nicolejung opened this issue Sep 19, 2024 · 1 comment
Assignees
Labels

Comments

@nicolejung
Copy link

It would be really great if we had a Decimer integration as follows:

  • Use of Decimer as an alternative to generate samples: As we have a smiles/CAS integration for samples, it would be great if we could generate samples in the same manner (button to upload your image (with one molecule) -> generate structure of a sample via Decimer). With the option to edit the sample e.g. in Ketcher after having the molecule's structure extracted.
  • Use Decimer extraction to generate samples directly from the reaction table: therefore, we would need an option to take a picture of a molecule within the reaction table (assigned to each type of sample: starting material, reactant, product). That would allow to easily capture a reaction by a step by extraction of moelcules and their direct assignment to a role in the reaction table.
    This would be really helpful for getting reactions out of publications and other documents such as printed lab journals. It could save a lot of work
@haditariq
Copy link
Contributor

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
Projects
None yet
Development

No branches or pull requests

3 participants