[QSAR] Structural alerts for endocrine disruptors

[List for Members of Cheminformatics and QSAR Society]

Dear Monika,
we have recently worked in Insubria on EDs (estrogen-like), with the 
collaboration of a researcher from Lanzhou (China) and we have 
already published the following papers:

Huanxiang Liu, Ester Papa, Paola Gramatica
QSAR Prediction of Estrogen Activity for a Large Set of Diverse 
Chemicals under the Guidance of OECD Principles
Chem. Res. Toxicol., 2006, 19, 1540-1548. DOI: 10.1021/tx0601509

Huanxiang Liu, Ester Papa, John Walker, Paola Gramatica
In silico Screening of Estrogen-Like Chemicals Based on Different 
Nonlinear Classification Models
J.Mol. Graph. Model., 2007, 26, 135-144. DOI:10.1016/j.jmgm.2007.01.003

Huanxiang Liu, Ester Papa, Paola Gramatica
Evaluation and QSAR modeling on multiple endpoints of estrogen 
activity based on different bioassays
Chemosphere, in press, doi:10.1016/j.chemosphere.2007.07.071

We are also publishing a review (accepted) regarding this topic on a 
Special Issue: Machine learning for virtual screening, of the Journal 
Combinatorial Chemistry & High Throughput Screening (ed. Ovidiu Ivcanciuc)

I hope that this information is useful for you. Don't hesitate to 
contact me personally if you need some more
Kind regards
Paola

At 02.24 12/09/2007, you wrote:
>Dear Dr. Monika Nendza,
>
>The attached paper is our paper about androgen receptor antagonists.  If it
>will be helpful, we will be happy.
>
>Best regards,
>
>Miki Akamatsu
>
> > Dear colleagues,
> >
> > currently, I am about to compile a review for the German 
> Environmental Agency
> > (UBA) about structural features that are suitable to help 
> identify candidate
> > chemicals that may have endocrine disrupting activities.
> > To cover established as well as most recent research, 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 relevant work 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
> >
> >
> > _______________________________________________
> > QSAR_Society mailing list
> > QSAR_Society at qsar.org
> > http://server.ccl.net/mailman/listinfo/qsar_society
> >
>
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----------------------------------------------------------------------------------------------
Prof. Paola Gramatica
Full Professor of Environmental and Cultural Heritage Chemistry
- past Associate Professor of Organic Chemistry

QSAR Research Unit in Environmental Chemistry and Ecotoxicology
- Department of Structural and Functional Biology (DBSF)
University of Insubria
Via J.H. Dunant 3 - 21100 Varese (Italy)
- - - - - - - - - - - - -.- - - - - - - - - - - - - - - - - - - - - - - - -
Tel. +39-0332-421573 / 552 - Fax +39-0332-421554
e.mail: paola.gramatica at uninsubria.it
web: http://dipbsf.uninsubria.it/qsar/
        http://www.qsar.it

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