Markush ring enumeration of zero repeating units problem

User 20757c93f1

21-08-2009 09:27:30


in Markush patent structures often zero "repeating units" (or zero "link atoms") occur.

In the attachment the problem is illustrated by an example and the enumerated result.

How can a Markush structure with zero repeating units be defined in Marvin without opening up the ring system during enumeration of the structures?

Many thanks,


ChemAxon a3d59b832c

22-08-2009 10:28:46

Hi Torsten,

You are right, zero repetition is not yet supported and ideally the enumeration should not break the ring.

We will look into this. I think that the enumeration will be easy to fix, but chemical registration and searching will take time.

In the meantime, I suggest to use an R-atom in place of the repeating unit, as in the attached Markush structure. It is important that the attachment points are added in the appropriate order for the R-group definition.

Best regards,