abraham descriptors

User 5a88369158

24-03-2010 18:28:59



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

User 851ac690a0

02-04-2010 23:47:11



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.