[QSAR] Benchtop modeling - discussion about PASS

[List for Members of Cheminformatics and QSAR Society]

Dear 

Since you brought up the discussion about PASS (Prediction of Activity
Spectra for Substances), please have a look at www.akosgmbh.de/pass. Whereas
PASS is not the usual QSAR program, it is perfectly suitable to predict ca.
3000 biological effects. We only can emphasize, try it out if you don't
believe it. All you need is a Molfile and you can test it online. Or,
download the limited version of PASS with 50 activities and test as many
compounds as you like.

The CWM Lead Finder application increases the selectivity of PASS, see
www.akosgmbh.de/cwm.  We are in the beta testing phase, and if you are
interested, please contact me.  

With best regards,
Alexander Kos


AKos Consulting & Solutions Deutschland GmbH
(AKos GmbH)
Dr. Alexander Kos
Austr. 26
D-79585 Steinen
Germany
Phone: +49 7627 970068
Fax: +49 7627 970067 
Fax (to mail):   +49 1805 744743 8318
Mobile +49 171 526 9392
E-mail: akos at akosgmbh.de
Homepage: www.akosgmbh.de
Registered at Amtsgericht Freiburg HRB 700872, Ust-ID DE253131617, General
Manager: Greta Auf der Maur, Alexander Kos
Authorized agent for Elsevier MDL (www.mdl.com), Material Science
International Services, GmbH (www.matport.com), DIMENSION 5, Ltd.
(www.miner3d.com), CompuDrug International (www.compudrug.com), Molecular
Networks GmbH (www.mol-net.de), and others.



-----Original Message-----
From: qsar_society-bounces at ccl.net [mailto:qsar_society-bounces at ccl.net] On
Behalf Of List for Members of Cheminformatics and QSAR Society
Sent: Mittwoch, 12. Dezember 2007 11:34
To: List for Members of Cheminformatics and QSAR Society; hwolfe at genaera.com
Subject: Re: [QSAR] Benchtop modeling

Henry R. Wolfe, Ph.D.
> Chief Scientific Officer and
> Executive Vice President
> Genaera Corporation
> 5110 Campus Drive
> Plymouth Meeting, Pa.
> hwolfe at genaera.com
> (610) 941-5268   Office
> (610) 941-5399   FAX
> (610) 304-1844   Mobile
Dear igor,
let me tell you that  for performing QSAR you should have a series of
compounds with structural variations and variations in biological activity.
unless the series of compounds with data for biological activity is seen
nobody can advise u in a right way, if u want we do qsar and molecular
docking studies. if interested to get it done u can be in touch with me on
my cell +91 9423574082. my contact details r as follows:
PROF BHANDARI S.V., HEAD DEPT. OF PHARMA. CHEM., RESEARCH WING,
AISSMS COLLEGE OF PHARMACY, KENNEDY RD., PUNE-411 001, MAHARASHTRA, INDIA
EMAILS -drugdesign1 at gmail.com, drugdesign1 at rediffmail.com

On 12/12/07, List for Members of Cheminformatics and QSAR Society <
qsar_society at ccl.net> wrote:
>
> Have you tried PASS?
>
> Regards,
> Igor
>
> On Tue, 2007-12-11 at 17:16 -0500, List for Members of Cheminformatics
> and QSAR Society wrote:
> > I am looking for what is probably not possible.
> >
> >
> >
> > We have a small collection (<1000) of compounds with biological activity
> > and known heterocyclic structures of 400-600 g/mole and want to do some
> > SAR, but do not have the budget for COMFA or the like.
> >
> >
> >
> > Any suggestions?
> >
> >
> >
> > Thanks
> >
> >
> >
> > Henry R. Wolfe, Ph.D.
> > Chief Scientific Officer and
> > Executive Vice President
> > Genaera Corporation
> > 5110 Campus Drive
> > Plymouth Meeting, Pa.
> > hwolfe at genaera.com
> > (610) 941-5268   Office
> > (610) 941-5399   FAX
> > (610) 304-1844   Mobile
> >
> >