A minor correction: [H] by itself *is* valid and means a hydrogen atom. The
Daylight docs say as much in section 4.1. But in other contexts it means a
hydrogen count, so to be safe, always using #1 to mean a hydrogen atom can
be a good practice.
If you are ever in doubt about how RDKit is
Hi Adam
There are a number of issues here. The key one, I think, is a
misunderstanding about the meaning of H in SMARTS. It means "a single
attached hydrogen", and is a qualifier for another atom, it cannot be used
by itself. So [*H] is valid, [H] isn't. See the table at
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