Hi
I am using cdk descriptor library for my masters project, I am trying to
develop a BCS classifier, for that I need to calculate XlogP descriptor
which I tried using both cdkui descriptor calculator as well as by using
class XlogP descriptor.
But I am getting different results from both.
for ex
Regards,
John W May
john.wilkinson...@gmail.com
On 11 May 2015 at 10:03, John M john.wilkinson...@gmail.com wrote:
Hi Rahul,
Just to check for the CDKUI, do you mean CDK Descriptor Calculator GUI,
Padel, Knime? Which version of CDK are you using. There were some bug fixes
between 1.4 and
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