warning : Partial parity information is applied

User 247a2c5018

11-01-2006 08:53:01

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?

User 247a2c5018

12-01-2006 09:29:38

No answer?

ChemAxon 43e6884a7a

12-01-2006 10:18:52

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?

User 247a2c5018

12-01-2006 10:32:04

Thank you

I can't send you the Sdfile which gives this warning because it belongs to a laboratory. I have no permission to give it.

ChemAxon 43e6884a7a

12-01-2006 10:43:46

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)

User 247a2c5018

12-01-2006 10:51:48

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.