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Re:Parsing Chemistry by dachrillz on Wednesday November 05, 2025 @09:19AM (#45823121)
What about inchi? Isn’t that a common way of describing molecules as well?
Re:Parsing Chemistry by the__alchemist on Wednesday November 05, 2025 @09:31AM (#45823248)
Good point!
Re:Parsing Chemistry by fred_tandemai on Wednesday November 05, 2025 @01:22PM (#45826067)
InChI isn't really meant to be used as a format to store 2D molecules say for rendering but rather serves as a unique descriptive chemical identifier. InChI has many flavors but the Standard InChI yields one unique identifier for multiple forms (tautomers) of the same molecule.