BCUT Descriptors

User e8b647f65b

23-11-2006 18:23:10


I want to generate several bcut descriptors for my molecules. However, no matter want config file I use, the output always contain 1 descriptor only. There is not much information in the documentation

The config file I use:


<BCUT Type="Burden" Lowest="2" Highest="2" />


And the command I used:

./generatemd c cox2_3dqsar.sd -k BCUT -c config.xml -o output.txt

I am expected there will be 4 descriptors for each compound. 2 lowest eigenvalues and 2 highest eigenvalues.

However in my output, always included only 1 descriptor.

ChemAxon efa1591b5a

27-11-2006 08:04:14


it seems like a bug! Thanks for telling us. I will let you know when the bug fix patch is available for download.



User 2b073084cc

26-03-2007 17:20:04


I wonder if this problem is solved or not. If not, what other ways I can use to bypass this problem?

thanks a lot

ChemAxon efa1591b5a

28-03-2007 12:24:47

Hi, it is fixed in the latest release of JChem.