Parsing Chemistry

Re:Parsing Chemistry by chermi on Wednesday November 05, 2025 @08:14PM (#45830260)

Thanks, that's very interesting! Naive question, but why couldn't you force a specific tokenization scheme on SMILES? Specifically, just one token per element? I understand SELFIES does more, but your example of Ba/Br made me wonder.

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Re:Parsing Chemistry by dekhn on Wednesday November 05, 2025 @08:45PM (#45830462)

I asked the authors of the original SMILES paper and they didn't have a good answer. I wrote a parser for SMILES so I could tokenize that way but never followed up, and eventually SELFIES was announced.

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Re:Parsing Chemistry by chermi on Thursday November 06, 2025 @06:26PM (#45841792)

Thanks!

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