greglandrum / rdkit-blog

RDKit blog
https://greglandrum.github.io/rdkit-blog/
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rdkit-blog/posts/2020-01-03-similarity-maps-with-new-drawing-code #20

Open utterances-bot opened 10 months ago

utterances-bot commented 10 months ago

RDKit blog - Similarity maps with the new drawing code

A new, and nicer, way to generate similarity maps

https://greglandrum.github.io/rdkit-blog/posts/2020-01-03-similarity-maps-with-new-drawing-code.html

pducrot commented 10 months ago

Nice post, I love these maps which I use to display other properties in addition to similarity. I was wondering if one could display those in grids to quickly compare small sets of molecules?