Andrew White π¦ββ¬@andrew.diffuse.one8 Mar 2025It's ridiculous, but there hasn't existed a one-liner to quickly get functional groups of a molecule. Little Friday night coding exercise to get this working. Enjoy - and let me know of any missing functional groups! I could only do a few hundred.3529
Andrew White π¦ββ¬@andrew.diffuse.one8 Mar 2025And if you want all the functional groups: I would actually love to have someone explain what the correct answer for this molecule.1
Yasin El Abiead@yelabiead.bsky.social9 Mar 2025classyfire.wishartlab.com/entities/VOR...classyfire.wishartlab.comClassyFire11
Andrew White π¦ββ¬@andrew.diffuse.oneThis is amazing - thank you!9/3/25, 1:02 amΒ·0 repostsΒ·1 like