Here's another web app built aiming towards non-coding lab chemists (my two cents towards this) - https://jhylin.github.io/Data_in_life_blog/posts/15_Molviz/Molviz.html

Quick features of the app:
- viewing and highlighting substructures in 2D compound images (for deployed version)
- viewing, saving and highlighting 2D images (for localhost version)

For interactive data table part: https://jhylin.github.io/Data_in_life_blog/posts/15_Molviz/itables.html

Big thanks to #rdkit, #datamol, #pyshiny, #itables, #pandas, #polars & #python.

📝 "Working with scaffolds in small molecules"

👤 Jennifer HY Lin (@jhylin)

🔗 https://jhylin.github.io/Data_in_life_blog/posts/14_Scaffolds_in_small_molecules/chembl_anti-inf_data_prep_current.html

#pyladies #python #rdkit #datamol #pandas #polars #cheminformatics

Latest blog post: Working with scaffolds in small molecules - manipulating SMILES strings with functions to read & query multiple SMILES. Many thanks to datamol, RDKit and several other great work with acknowledgements mentioned in post - https://jhylin.github.io/Data_in_life_blog/posts/14_Scaffolds_in_small_molecules/chembl_anti-inf_data_prep_current.html
#drugdiscovery #datamol #rdkit #compchem #cheminformatics