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rapodaca / mx

Essential Cheminformatics
http://metamolecular.com/mx
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Toluene quat carbon shouldn't match neopentane quat carbon but does #6

Closed rapodaca closed 15 years ago

rapodaca commented 15 years ago

To reproduce: http://gist.github.com/130536

Expected: test passes

Found: Test fails

rapodaca commented 15 years ago

changed matching concept from valence to unsaturation. Closed by 0ab38bada2921c024a2abd159f8bf7be74796007.