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Greg Landrum
greglandrum.bsky.social
did:plc:766rzfakcbytbidxfyvzywhc
There's a new #RDKit blog post introducing some new functionality that I'm really excited about: doing efficient substructure and similarity searches in very large chemical libraries:
https://greglandrum.github.io/rdkit-blog/posts/2024-12-03-introducing-synthon-search.html
#ChemSky
2024-12-03T07:21:16.013Z