[QSAR] QSARs for mixtures

[List for Members of QSAR and Modeling Society]

Dear QSAR Society members:

I'm seeking 5-10 volunteers to test a web service. The web service 
accepts a SDF file and a potency file (or a molecular descriptor file 
and a potency file) and then does the following:
1. It computes several sets (5) of molecular desciptors.
2. For each set of molecular descritors, it computes multiple (12) 
statistical analyses.
3. Summaries of the 60 analyses are posted to the web site for viewing.

At the moment we would like any data set to be less than 10k compounds.

The plan is that once we have tested things extensively and linked our 
server to a computer farm, to make the service freely available.

Sincerely,

Stan Young



List for Members of QSAR and Modeling Society wrote:
> Hi Monika:
>
> We have a recent paper on mixture toxicity. I haven't got an electronic reprint to send, but I'm sure you can easily get hold of it: Hodges G., Roberts D.W., Marshall S.J. and Dearden J.C. Defining the toxic mode of action of ester sulphonates using the joint toxicity of mixtures. Chemosphere 64 (2006) 17-25.
>
> Best wishes,
>
> John
>
>   
>> -----Original Message-----
>> From: qsar_society-bounces at ccl.net
>> [mailto:qsar_society-bounces at ccl.net]On Behalf Of List for Members of
>> QSAR and Modeling Society
>> Sent: 05 March 2007 15:55
>> To: qsar_society at qsar.org
>> Subject: [QSAR] QSARs for mixtures
>>
>>
>> Dear colleagues,
>>
>> currently, I am about to revise and update a study on QSARs 
>> for toxicity of mixtures. To cover most recent research on 
>> QSARs for effects of mixtures, I would appreciate very much 
>> if you could provide me with information (reprints, reports, 
>> etc.) about your work in this field. Any indications about 
>> other recent work on mixture toxicity/activity QSARs are also 
>> very welcome.
>>
>> Thank you very much in advance!
>>
>> Yours sincerely,
>>
>> Monika Nendza
>> ________________________
>> Dr. Monika Nendza
>> Analytisches Laboratorium
>> Bahnhofstr. 1
>> 24816 Luhnstedt
>> Germany
>> T +49 4875 388
>> F +49 4875 585
>> E AL-Luhnstedt at t-online.de 
>>
>>
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>>     
>
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