abraham descriptors

Hi,

 

Has anyone tried to calculate the Abraham descriptors using chemaxon (J Pharm Sci. Vol. 90: 749 - 784)?

The abraham descriptors are:

E - excess molar refraction

S - dipolarity/polarizability

A - hydrogen bonding acceptors

B - hydrogen bonding donors

V - McGowan characteristic volume

 

Thank you

These descriptors are included in the ABSOLV module which is now part of ACDlabs

 

Thank you

Hi,

 

Abraham's descriptors are not implemeted in the Marvin's tools.

I think I will implemet these descriptors in the near future.

 

Thanks for the suggestion.

Jozsi