pragmatic solution.
Desalting by removing the smallest fragment performs as expected -
pyrollidinium tosylate - which part of the salt do you want to discard? If you
don’t know it’s hard to create a heuristic.
C1CC[NH2+]C1.Cc1ccc(cc1)S([O-])(=O)=O
Ed
Dr Ed Griffen,
Technical Director,
mobile
7;]
>>> print(len(heavies))
13
obviously you do this after splitting on the .
Best regards,
Ed
Dr Ed Griffen,
Technical Director,
mobile +44 7762 121593
office +44 1625 238843
ed.grif...@medchemica.com
www.medchemica.com
skype: ed.griffen
Twitter: @MedChemica
Medchemica Ltd is a company
00335
Best regards,
Ed
Dr Ed Griffen,
Technical Director,
mobile +44 7762 121593
office +44 1625 238843
ed.grif...@medchemica.com
www.medchemica.com
skype: ed.griffen
Twitter: @MedChemica
Medchemica Ltd is a company registered in England and Wales with company number
8162245.
Confidentiality N
Is there a reaction depiction option similar to the MolDraw2DCairo which
produces much better depictions that the simple Chem.Draw PIL images?
Or am I just doing this wrong?
Attempting to push a reaction through MolDraw2DCairo fails with:
Traceback (most recent call last):
File "drawing_tes
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