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metamolecular / mx

Essential Cheminformatics
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Fingerprinter fails to match propane to acetone #12

Closed rapodaca closed 15 years ago

rapodaca commented 15 years ago

Using f89cd3b7433b707f1e5688648deaa2380a0dac44, this test fails, but it should pass.

rapodaca commented 15 years ago

fingerprinter symmetrizes cyclic conjgated rings. Closed by 4b0fd03faa54be2336d11d661b8e9bdaa58cb5a1.