On 18/09/10 05:19, Greg Landrum wrote:
On Sat, Sep 18, 2010 at 12:05 AM, Geoffrey Hutchison
ge...@geoffhutchison.net wrote:
So now with the replace function in python I can easily remove
sterochem information from the molecule.
smiles_corrected = smiles_broken.replace(@,)
Once I
Dear all,
I keep forgetting to post this. At this year's Goslar
chem(o)informatics conference I will be giving a presentation titled:
Making sure there's a give associated with the take: Producing and
using open-source software in big pharma
Needless to say, the RDKit will feature in the
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