I have this following warning when I run :
cxcalc -S 2005-03-03_10.sdf logp > titi.sdf
--->Warning: Partial parity information is applied.
Normally I have no this warning. That's depends on Sdfile.
What is the meaning of this warning?
We are still thinking what the reason can be, but you can neglect this warning. Parity information is not used during logP prediction.
Can you send an example?
I can't send you the Sdfile which gives this warning because it belongs to a laboratory. I have no permission to give it.
Maybe you could change the structure by replacing some atoms so that the cofidentiality problem disappears, but the warning still comes. (Just if this is not too difficult)
The Sdfile contain 1110 structures
So I don't know which structure cause this warning.
It is so difficult for me to change some atoms in the Sdfile.