Subject: Re: CCL:cLogP calculator

From: "Phil Howard" <[email-masked]>
Date: Thu, 05 Aug 1999 09:32:10 -0400

Jon,
	You should check out our LOGKOW program
http://esc.syrres.com/~esc1/estsoft.htm
	It is one of the most accurate available and does not have any missing
fragment problems (see J. Pharm Sci 84:83-92,1995). The program also has a
unique feature that allows the user to adjust the estimation using an
experimental octanol/water partition coefficient from a
structurally-related chemical compound. Batch file processing is also
possible.
Phil
Philip H. Howard, Ph.D.			Phone:		315-452-8417
Director, Environmental Sciences Center	Fax:		315-452-8440
Syracuse Research Corporation		Email:		[email-masked]
6225 Running Ridge Rd.			Website	http://esc.syrres.com
North Syracuse, NY 13212
At 06:12 PM 8/4/1999 -0700, Jon Sorenson wrote:
>
>Hi netizens,
>
>I'm forwarding this message for a friend in the pharmaceutical
>industry who's not on the list:
>
>> Subj:  cLogP calculator
>
>> Hello,  We have an ISIS database for our synthetic compound collection
>> (>20,000 cmpds right now).  We would like to add a well-validated
>> computational package for determining cLogP values.  Any suggestions out
>> there?  Thanks in advance!
>
>If there's interest, I'll summarize replies to the list.
>
>Thanks,
>
>Jon Sorenson
>
>-----------------------------------------------------------------------
>Jon Sorenson				[email-masked]
>Ph.D. Student				http://www.lbl.gov/~jsorenso
>Dept. of Chemistry			Donner 474
>U.C. Berkeley				510.486.6933
>Berkeley, CA  94720
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