Like I said, working on the validation code is very hard. Or at least tedious.
There's only 25 bits more to write check cases for.
One of them is bit 141, defined a
CH3 > 2
That is, at least three matches to the SMARTS [CH3]
Then down in bit 160 it's
CH3
with at least 1 match to the SMARTS [C;H3,H4].
I think the bit 141 should have the same SMARTS, to include CH4.
It's hard to construct a real case where this will make
a difference so I'm not sure this is even appropriate.
Greg? Any thoughts?
Andrew
da...@dalkescientific.com
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