2023-03-21
This is Maëlle's DBGI daily open-notebook.
Today is 2023.03.21
TODO
- Check discussion: https://github.com/orgs/digital-botanical-gardens-initiative/discussions
- Check Zulip
CODE
NOTES
Calculate similitude between molecules:
- https://medium.com/data-professor/how-to-calculate-molecular-similarity-25d543ea7f40
- https://gnps-structure.ucsd.edu/structuresimilarity?smiles1=
&smiles2= => seems to be better option
Presentation:
https://docs.google.com/presentation/d/1zcw1-uSIoxz6ElqDDx2c8B5xPFVJ3mO_inPEL60cZtw/edit?usp=sharing
TODO NEXT
Important for redaction
- verctorization to improve efficiency