Enumeration of lib_id 8, 300 following Bruce example from lib_id 2

broadinstitute / chem-bio-dos-del

Initiated 2021Q4 for code related to the Broad Chemical Biology DNA-encoded library (DEL) analysis and visualization pipeline

MIT License

1 stars 0 forks source link

Enumeration of lib_id 8, 300 following Bruce example from lib_id 2 #11

Open remontoire-pac opened 2 years ago

remontoire-pac commented 2 years ago

New reaction SMARTS for 2 libraries. Test "offline" SMARTS (e.g., PP), then in Python code. Enumerate production files for Shiny app.

zheryin commented 2 years ago

Found a method to export SMARTS from ChemAxon node in KNIME. Will clean up reactions in KNIME workflow for the libraries before exporting SMARTS and testing out enumeration