44.
Bruni A. T., Ferreira M. M. C., “Omeprazole a nd Analogue Compounds: A Case Study”. Bournemouth, United Kingdom, 08-13/09/2002: 14th European Symposium on Quantitative Structure-Activity Relationships: Designing Drugs - Problems and Solutions (Euro QSAR 2002), Final Programme Book, Poster No. 051.

45.
Kiralj R., Ferreira M. M. C., Pinheiro J. C., Romero O. A. S., “Combined QSAR, Molecular Graphics and Modeling Study on Some C9, C10-substituted Artemisinins with Antimalarial Activity Against Plasmodium Falciparum”. Bournemouth, United Kingdom, 08-13/09/2002: 14th European Symposium on Quantitative Structure-Activity Relationships: Designing Drugs - Problems and Solutions (Euro QSAR 2002), Final Programme Book, Poster No. 045.


Here below are some internet sources of information about the EuroQSAR 2002 meeting.




Message from the EuroQSAR 2002 organizers posted to the Computational Chemistry List (CCL):
http://www.ccl.net/cca/info/conferencelist/mess0986.shtml
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CCL Home Page
CCL mess0986 
From jkl@osc.edu Fri Feb 15 12:49:11 2002 -0500
From: martyn.ford@port.ac.uk
To: dabraham@gems.vcu.edu, m.h.abraham@ucl.ac.uk,
        zefirov@org.chem.msk.su, mjzehe@grc.nasa.gov, litai_zhang@fmc.com,
        xizst5+@pitt.edu, zotov@qsar.chem.msu.su, zsolt@simbiosys.ca
MIME-Version: 1.0
Content-type: text/enriched; charset=ISO-8859-1
Content-transfer-encoding: Quoted-printable
Subject: 02.09.08 Euro QSAR 2002: Designing Drugs and Crop Protectants - Bournemouth, UK

The Bournemouth International Centre is one of the most prestigious 
conference venues in the UK, regularly playing host to major political parties 
and international performing artists. We've chosen this purpose-built centre 
as the venue for the 14th European Symposium on Quantitative 
Structure-Activity Relationships 2002: Designing Drugs and 
Agrochemicals =96 Processes, Problems and Solutions.
The meeting will take place between Sunday 8th and Friday 13th September, 
2002. Further details can be found on the symposium website at ( www.euro-qsar.org ).

Robotics, information technology, microprocessor technology and 
miniaturisation are affecting the way biologically active compounds are 
discovered and designed. We're developing a scientific programme to focus 
on the impact of these new technologies. We will identify important problems 
remaining to be solved and review the roles that QSAR and Molecular 
Modelling can play in achieving this goal.

A strong scientific programme, internationally recognised speakers and 
chairmen, poster sessions and workshops, an industrial exhibition, and a 
memorable social programme:  we will create a culture of discussion that 
continues to thrive outside the lecture hall. Invited speakers include 
Graham Richards (Oxford), Tim Clark (Erlangen), Dave Weininger (Santa Fe), Gert 
Vriend () and Peter Willett (Sheffield). Peter Machin, Senior Vice President 
of GSK has agreed to present the opening lecture.
Your input will ensure that the focus of the meeting addresses your 
company's current and future industrial requirements. Please let us have
your thoughts and ideas on the programme content.
If you are employed by a commercial or industrial company, your support 
could be crucial to the success of this meeting. We have set a target of 
to raise through corporate sponsorship. The sponsorship fund will
be used to support the costs of invited speakers, chairmen, student bursaries, 
receptions, poster prizes and promotion. 
We would like to invite you to make a donation, either for sponsorship of
a specific event or publication, or for a contribution to the general fund. 
In return for a  donation, your company will receive excellent publicity and 
wide exposure, both on the website ( www.euro-qsar.org ) and throughout the 
meeting. All sponsors will be publicly acknowledged and named in the proceedings.
We hope you will feel able to make a generous contribution.

Please reply to:
martyn.ford@port.ac.uk
or
Nicki.Cordery@qclscientific.com


Past events with Umetrics participation:
http://www.umetrics.com/events.asp
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Past Events

Here you can find records of past events and conferences where Umetrics has published material after the event.
Euro QSAR 2002 Symposium, September 8-13, 2002
Umetrics were present at the EuroQSAR 2002 meeting in Bournemouth 8th-13th September. Umetrics contributed two talks to the proceedings on Multivariate Hierarchical modelling and Gene Expression data analysis. The Umetrics trade stand proved popular with delegates who were able to discuss multivariate analysis applications with our consultants and take away complimentary copies of literature including copies of our "Multi and Megavariate Data Analysis" textbook. The meeting itself was very lively and interesting with many speakers using PCA and PLS for QSAR modelling.

You can view the talks from EuroQSAR 2002 by clicking on the links below:

  • Analysis of Gene Expression Datasets using Partial Least Squares Discriminant Analysis (PLS-DA) and Principal Component Analysis (PCA) (703 KB)
  • Multi- and Megavariate data analysis of hierarchical biological data (286 KB)
(The files are in PowerPoint format. If you don't have PowerPoint you can download a viewer from Microsoft.)


Informaton about the EuroQSAR 2002 at the home page of the Molecular Graphics and Modelling Society:
http://www.mgms.org/euroqsar_workshop.htm
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The 14th European Symposium on Quantitative Structure-Activity Relationships: Workshop 1 - Drug transporters. Can they be modelled?

Bournemouth International Conference Centre, Bournemouth, UK, 12th September 2002

Chair: Colin Edge, GlaxoSmithKline, Harlow UK

Session organiser: David Manallack, De Novo Pharmaceuticals, Cambridge, UK

Presenters: Han Van de Waterbeemd, Mine Yarim, Peter Hunt, John Dearden, Alanas Petrauskas


Aim of the Workshop

There is considerable economic pressure on the pharmaceutical industry to develop new medicines. Losses in the clinic are very costly and modelling efforts have recently been directed towards predicting ADME, toxicity and physicochemical properties. Among these studies have been modelling attempts around drug transporters so that compounds predicted to have poor bioavailability, or are likely to cause drug-drug interactions can be flagged. This workshop will feature a short review on drug transporters followed by four speakers detailing their recent work in this area. We intend this to be a very interactive session and we hope to understand where the problems lie for modellers and QSAR researchers attempting to study drug transporters.

Format

An introduction to the field of drug transporters will be given highlighting the issues faced by workers in this field. This will be followed by short (10 minutes) presentations from four researchers with plenty of time for questions. To wrap up, the chairman will summarise the results of the workshop and look at how we have tackled the issues outlined in the introduction, as well as providing some ideas for future research.

Presentations (downloadable as .ppt files)

David Manallack and Colin Edge
Drug transporters. Can they be modelled?

Han Van de Waterbeemd
Transporters: Introduction and importance to ADME studies"

Peter Hunt
P-glycoprotein modelling - Is a straight line always the best way...?

John Dearden
QSAR of Pgp efflux

Mine Yarim
A comparative molecular field analysis of organic anion transporting polypeptide 3 (Oatp3) substrates

Alanas Petrauskas
Classification SAR in the prediction of P-glycoprotein substrate specificity