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There’s a moment in every chemist’s life when you realise you’ve been told fairytales. Maybe one turning point, maybe a series of small realisations throughout your education. Guillermo Restrepo reflects on one such example: how we draw molecules. #ChemSky www.chemistryworld.com/opinion/stop...

26/10/26, 5:40 pm1 repost4 likes

Daniel Probst

@skepteis.bsky.social

23h

What this write-up is missing is that trusty ECFP fingerprints can be read as compressed labeled hypergraphs over molecules. Whether this is why they are (still) competitive with neural/learned representations of molecular graphs (hyper or not) would be interesting to see.