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Comment by gavinray

Neat idea!

I tried it out with a relatively basic Medicinal Chem/Pharmacology question, asking for an interactive Structure-Activity-Relationship viewer:

  > "Build an interactive app showing SAR for a congeneric series. Use simple beta-2 agonists (salbutamol -> formoterol -> salmeterol). Display the common phenethylamine scaffold with R-group positions highlighted, and let me toggle substituents to see how logP, receptor binding affinity, and duration of action change."
It did not quite get it right. It put a bunch of pieces together, but the interactivity/functionality didn't work and choice of visualization was poor for the domain:

https://www.phind.com/search/find-me-options-for-a-72e019ce-...

parent gavinray 11 months ago

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