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 . in case of Metoprolol.mol XlogP by CDKUI calculator is 1.68 while
same with XlogP class is 0.7.
Can you please explain me the reason behind it so that I can get correct
results.
Best Regards
Rahul Singh Gurjar
M.S. (Pharm),
Department Of Pharmacoinformatics,
NIPER, S.A.S. Nagar, Mohali,
Punjab, India.
Mail ID : singhgurjarra...@gmail.com
Contact : +91 7814192659
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