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This occurred when trying to make the InChI in order to look up a quantum chemistry result.
I don't know what the chemgraph in question is because the exception was not caught in such a way as to disp…
rwest updated
13 years ago
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Loading Brevetoxin B molfile (http://chempedia.com/substances/8-8627-1027-6658.mol) followed by returning default fingerprint with PathFingerprinter takes longer than 30 seconds.
Sample code here:
h…
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66a98a380489daada54a1e562766822edd41c2ae
Expected molfile comment line to read:
Created with MX - http://rapodaca.github.com/mx
but got this instead:
Created with ChemWriter - http://metamolecular…