Update PAINS smarts to validated set. Always use mergeQueryHs when reading Smarts #549
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greglandrum
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Update PAINS smarts to validated set. Always use mergeQueryHs when r…
greglandrum
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…eading Smarts
I've updated the SMARTS patterns to the validated set, updated mergeQueryHs and updated the tests.
You will note that the previous set had multiple patterns for the same pattern, I'm not sure where these came from (PAINS_A and C had a few duplicates).