RE: QSAR - pKa and logD calculation

Han,
Don't forget: www.ap-algorithms.com
Alex

-----Original Message-----
From: han_waterbeemd-.-sandwich.pfizer.com
[mailto:han_waterbeemd _ sandwich.pfizer.com]
Sent: Friday, December 19, 2003 11:11 AM
To: qsar_society|accelrys.com
Subject: RE: QSAR - pKa and logD calculation

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Oliver,
See
http://www.acdlabs.com/products/
http://www.compudrug.com/inside.php
Please contact the vendors for free evaluations.
Merry Christmas,
Han
-----Original Message-----
From: Oliver Hucke [mailto:ohucke-#-u.washington.edu]
Sent: 18 December 2003 21:33
To: QSAR society
Subject: QSAR - pKa and logD calculation
NB: Unless you reset the To: line, your reply goes to the entire list
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Dear all,
can somebody recommend a software for the calculation of pKa and logD 
values? Are any validated free programs available?
Thanks very much in advance,
Oliver
-- 
_______________________________________________________________
Oliver Hucke, Dr.
                               Health Sciences Building - K418C
University of Washington      1959 NE Pacific St.
Dept. of Biochemistry         phone: (206) 685 7046
Box 357742                    fax  : (206) 685 7002
Seattle, WA 98195-7742        email: ohucke..u.washington.edu
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