Michael
Here is a comment “aus erster Hand” or “straight from the horse’s mouth”
http://ftp.ccl.net/chemistry/resources/messages/2009/10/23.004-dir/index.html
“Admittedly, in our COSMOtherm implementation of COSMO-RS we have a few parameters being not completely disclosed.”
Do you or anyone but the vendor using this software can recreate its results ?
If so please publish the “few parameters being not completely disclosed” AND their values so other people can believe in the results without resorting to faith. Faith is not part of any sound scientific methodology.
How many parameters are “few parameters being not completely disclosed” ? 3 or 30, or 300 ….
It is also possible to refit on the fly all these parameters using the built in database of values and always provide a better answer than the other remakes of a method that is not fully disclosed, this is what is meant by black-box software, one where the user can’t really retrace how it computes. It is secret and proprietary, why should anyone blindly believe in those results ?
BTW If you try to find Klamt at the Uni to ask these questions you will have a hard time because he is not listed in their directory. After reading comments as those posted online I decided not to waste any time on this methodology.
I wish you good luck reading the literature., Michael