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

Add RDKit integration for substance descriptor generation #45

Open
stuchalk opened this issue Mar 5, 2021 · 0 comments
Open

Add RDKit integration for substance descriptor generation #45

stuchalk opened this issue Mar 5, 2021 · 0 comments
Assignees
Labels
enhancement New feature or request
Milestone

Comments

@stuchalk
Copy link
Collaborator

stuchalk commented Mar 5, 2021

Automated create of descriptors for chemical substance can be achieved using RDKit. This needs to be intergrated in the current code to enhance the # of descriptors that are annotated on generated SciData substance JSON-LD files.

@stuchalk stuchalk added the enhancement New feature or request label Mar 5, 2021
@stuchalk stuchalk added this to the Beta for ACS milestone Mar 5, 2021
@stuchalk stuchalk self-assigned this Mar 5, 2021
@stuchalk stuchalk modified the milestones: Beta 1, Beta 2 Apr 16, 2021
@stuchalk stuchalk modified the milestones: Beta 2, Version 1.0 Dec 26, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
enhancement New feature or request
Projects
None yet
Development

No branches or pull requests

1 participant