[Cdk-user] XlogP descriptor query

2015-05-11 Thread rahul singh gurjar
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

Re: [Cdk-user] XlogP descriptor query

2015-05-11 Thread John M
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