Surface areas evolving?

User 677b9c22ff

02-10-2008 02:09:32

Hi,


are the surface areas and polar surface areas example:


ASA = 349.00


ASA+ = 265.04


ASA- = 83.97


ASA_H = 328.06


ASA_P = 20.94


evolving or changing parameters? One could expect that certain properties


become more accurate (solubilities, mp) during time. Could this also happen


to the surface areas or is the algorithm universal/static.





Thank you


Tobias

User 851ac690a0

10-10-2008 13:45:59

Hi,





We will develop this calculation in the future.





Jozsi