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.

Below is a short version of the conference home page. The original conference site is not available more at: http://www.euro-qsar.org/

The 14th European Symposium on
Quantitative Structure-Activity Relationships

8th - 13th September 2002

Bournemouth International Conference Centre, Bournemouth, UK.

Latest updates to this site:

Thursday September 5th 2002

Thursday programme

Wednesday 4th 2002

Exhibitor Information

Important information

A delegate badge will be ready for collection at the registration desk for those who have not received them by post.

Delegate badges are being sent out now. In order to gain access to this event, you need to present this badge at the QSAR Registration Desk on arrival at the Bournemouth International Centre. If you have not yet made your registration payment, please do so straight away.

Registration Desk - Open from 2pm Sunday September 8th. Please ensure that you have your delegate badge ready for authorisation. If you have made any special arrangements, please let a member of staff know at this time.

Information Desk - 2002 Euro QSAR staff will be on hand throughout the conference and can be easily identified by their green 2002 Euro QSAR t-shirts. The Registration/Information desk will be open from 8am to 6pm throughout the week.

Dress Code - The dress code throughout this conference is casual. However please note that a Lounge Suite is required at the Welcome Reception on Sunday 8th and a smart dress code is required for the Gala Dinner at Beaulieu on Thursday 12th.

Weather - The weather in the UK during September can be unpredictable. In order to help you, we are regularly posting 5-day weather forecasts on the Venue page of this web site.

Travel - We have a dedicated travel page on this web site and are regularly updating it. If you have any specific travel arrangements that you would like assistance with, please call the Conference Management Office and we will endeavour to help you.

Sponsorship opportunities

Delegate bags - option taken
Corporate banners and posters
Conference Internet cafe

Social events
Gala Dinner - option taken

If you are interested in sponsoring this event, please click here to send an email to secure your option or to obtain more information

If you are intentding to sponsor the conference, your donation should be made payable to "Euro QSAR 2002" and sent to the symposium chairman at the following address:

Professor M.G. Ford, University of Portsmouth, School of Biological Sciences, Centre for Molecular Design, King Henry I Building, King Henry I Street, Portsmouth, Hampshire, UK, PO1 2DY.

Call for poster presentations

The call for oral submissions is now finished. However, delegates are invited to submit an abstract for consideration as poster presentation.

Special taxi rates in Bournemouth

We have negotiated special taxi rates for our delegates at this conference. If you require a taxi in Bournemouth, simply contact United Taxis on 01202 556677 and state that you are a "Euro QSAR 2002" delegate, you will thenreceive a 10% discount.

Related meetings

International Molecular Modelling Conference, Lorne, Australia. - February 5-9 2003
www.chem.csiro.au/raci/biomolecular
Euro QSAR 2004. - September 5-10 2004
www.euro-qsar2004.org

Last updated 4th September 2002

Designing Drugs: processes, problems and solutions

The Conference

The 14th European Symposium on Quantitative Structure-Activity Relationships (Euro QSAR 2002) conference programme has been designed to review current practices used to identify new lead compounds and optimise their performance in industrial screens and as potential new products.
The benefits of using Molecular Modelling to predict the static and dynamic properties of molecules, and QSAR procedures to identify new relationships between these predicted features and biological activity, will provide an important focus for the Scientific Programme.

Sessions

Sunday, September 8th

The conference will be opened on the evening of Sunday 8th September with a plenary lecture by Dr Peter Machin, Senior Vice President, GlaxoSmithKline. This will be followed by a Welcome Reception.

Monday, September 9th

Morning: Expanding the knowledge base

Invited talk: Pattern recognition and distributed computing in drug design. Graham Richards, University of Oxford, UK

Building compound stability databases

Incorporating and using ADME, toxicology, formulation in the design process

Afternoon: High-throughput processes

Invited talk: High throughput and virtual screening: choosing the appropriate leads. Tudor Oprea, AstraZeneca, Sweden

Design & implementation of HTS & combichem

Data mining, interpretation and modelling

Experimental design

Tuesday, September 10th

Morning: Modelling the Organism

Invited talk: Modelling and simulations og biological pathways: pharmaceutical applications. Igor Goryanin, GlaxoSmithKline, Stevenage, UK

Cell simulation and modelling

Membranes and transport

Physiologically based pharmacokinetic (PBPK) models

Afternoon: Modelling the chemistry

Invited talk: Modelling the chemistry: time to break the mould? Tim Clark, University of Erlangen, Germany

New algorithms, new descriptors

Defining pharmacophores - static and dynamic models

Protein & small molecule modelling, dynamics and time series

Computing, estimating and validating descriptors

Wednesday, September 11th

Morning: Modelling the data

Invited talk: Reality and models. Concepts, strategies and tools for QSAR. Roberto Todeschini, University of Milan, Italy

Statistical methods

Neural nets

Genetic algorithms

Computer simulation

Support vector machines/cellular automata

Thursday, September 12th

Morning: Informatics 1: Bioinformatics

Invited talk: Bioinformatics and drug discovery: a structural perspective. Janet Thornton, European Bioinformatics Institute (EMBL-EBI), UK

Structural and functional genomics

Structural and functional proteomics

Analysing sequence and ligand binding data

Afternoon: Web based dissemination Integration and quality assurance

Invited talk: Web based integration and dissemination: the GPCRDB, NucleaRDB and GPCR sequence (197). Gert Vriend, CMBI, Netherlands

Data warehouses

Standardised data sets

Best of breed (plug-in components)

Collaborative software environments

Distributed software

Friday, September 13th

Morning: Informatics 2: Cheminformatics

Invited talk: A graph-based approach to the calculation of molecular similarity. Peter Willett, University of Sheffield, UK

Non-numeric structural data

Information extraction

New information models

All sessions listed are provisional and are subject to alterations. However, they do provide an initial focus for the Conference. Confirmation of sessions will be published in the Second Circular.

Exhibiting

A unique opportunity to meet a targeted audience. Network with existing customers and present your products/services to new contacts. All promotional packages can be tailored to meet your objectives.

For more information on exhibition opportunities click here.

Poster presentations

There will be a number of poster boards available at this event.

Please click here to send an abstract (250 words), not forgetting to enter your full contact details. Please note that you must be a registered delegate in order to present a poster.

Please include the following information:

Your full contact details

Authors Name

Affiliation and address

Title of presentation and intended session

Sponsorship

Put your organisation in the spotlight by sponsoring an event at QSAR 2002. There are many different options available, which can be individually tailored to your needs.

Please click here to request further information.

Alternatively you can contact Martyn Ford or David Livingstone

If you are intending to sponsor the conference, your donation should be made payable to: "EuroQSAR 2002" and sent to the Symposium Chairman at the following address:

Professor M.G. Ford, University of Portsmouth, School of Biological Sciences, Centre for Molecular Design, King Henry 1 Building, King Henry 1 Street, Portsmouth, Hampshire, PO1 2DY, UK.

University of Portsmouth

The Faculty of Science at Portsmouth University has a long-standing and well-deserved reputation for excellence in both research and teaching. The Faculty is particularly aware of the need for active links between undergraduate programmes and the world of work. There are close working relationships with many industrial and professional employers, and effective preparation for careers within and beyond science.

Professor Martyn Ford, Director at the Centre for Molecular Design and Chairman of Euro QSAR 2002, has been working at the University for over 30 years.

Click here to visit the University of Portsmouth of website

Bournemouth

Internationally renowned for being one of Europe's most fashionable resorts, Bournemouth attracts millions of visitors of all ages and nationalities each year. Seven miles of golden sand, vibrant nightlife, first-class attractions, good restaurants and beautiful gardens promise something for everyone. In 1999, Bournemouth was awarded two European Blue Flags for its consistently excellent water quality, reflecting the town's dedication to high standards of cleanliness.

As the sun sets over the Victorian architecture, the atmosphere of this lively and cosmopolitan town centre changes. Rapidly earning a reputation as the entertainment capital of the south coast, Bournemouth caters for all tastes. Delegates will certainly be spoilt for choice.

Click hereto visit Bournemouth

The venue

The Bournemouth International Centre (BIC) is one of the UK's most prestigious venues for conferences and exhibitions. The venue is owned and operated by Bournemouth Borough Council.

Accommodation

We have negotiated preferential rates with many hotels near to the BIC.

Click here to view recommended hotels

Registration

Registration is now open. An Early Bird Discount is available until June 16th. The Registration Fee will include welcome wine reception, all lunches, and conference proceedings. It is the organisers' intention to rapidly publish proceedings from this conference.

Please click here to request more information on registration.

Bursaries

There will be a limited number of bursaries available. Please apply in writing to: Nicki Cordery, Euro QSAR Conference Office, c/o Riverside, Forest Row Business Park, Forest Row, East Sussex, RH18 5DW.

Cancellations

Your registration can be transferred to a member of your organisation up to 48-hours in advance of the conference. 50% of the registration fee will be refunded up to August 17th 2002, no refund will be made for cancellations after August 17th 2002. In case of Conference Cancellation, our liability is limited to refund conference registration only. We reserve the right to alter this program without prior notice.

Scientific programme

Click on the day you wish to view:

	Sunday 8th Sept	Opening
	Monday 9th Sept	Session 1 - Expanding the Knowledge base Session 2 - High throughput processes
	Tuesday 10th Sept	Session 3 - Modelling the Chemistry Session 4 - Modelling the organism
	Wednesday 11th Sept	Session 5 - Modelling the data Waverley Cruise
	Thursday 12th Sept	Session 6 - Bioinformatics Session 7 - Web based dissemination, quality assurance and integration Gala dinner
	Friday 13th Sept	Session 8- Cheminformatics Close

Bournemouth and the B.I.C.

Sunny summers and mild winters make Bournemouth an ideal place to visit all year round. The Garden City By The Sea has over 2000 acres of beautiful parks and gardens, adorned with half a million stunning bulbs and shrubs. Bournemouth has been awarded three Green Flags as well as winning Britain in Bloom and Entente Floral.
The resort is vibrant and buzzing by day and night with cinemas, shops, restaurants, nightclubs and casinos.

In the town centre, discover the award-winning and recently restored Russell-Coates Art Gallery and Museum. On the borders of Dorset and Hampshire, and within easy reach of Wiltshire, Bournemouth is ideally positioned to explore a variety of attractions that include stately homes, dramatic coastlines and idyllic forests.

Temperatures for September in Bournemouth

Average Maximum	18C
Average Minimum	9C
Mean	14C
Average Precipitation	66mm

Current temperatures in Bournemouth

		Maximum	Minimum
Sat Aug 31st	Cloudy/Sunny	22C/71F	8C/46F
Sun Sept 1st	Sunny	22C/71F	11C/51F
Mon Sept 2nd	Sunny	24C/75F	12C/53F
Tue Sept 3rd	Cloudy	23C/73F	12C/53F
Wed Sept 4th	Sunny	24C/75F	17C/62F

Car parking

There is a multi-storey car park facility at the Bournemouth International Centre, charges are as follows:

Primary Long Stay	Daytime charges: 8am to 6pm
Up to 2 hours	£1.70
Up to 3 hours	£3.30
Up to 4 hours	£4.50
Up to 24-hours	£6.00
	Evening charges: 6pm to 8am
Per visit (valid until 8am)	£1.50
Up to 24-hours	£6.00

There are alternative parking facilities at the Pavillion for primary short and ling stay:

Primary short & long stay Daytime charges: 8am to 6pm

Up to 1 hour £0.80

Up to 2 hours £1.50

Up to 3 hours £2.00

Up to 4 hours £3.50

Up to 24-hours £6.00

Evening charges: 6pm to 8am

Over 1 hour (valid until 8am) £1.50

Up to 24-hours £6.00

Leisure facilities at the B.I.C.

The Bournemouth International Centre has offered Euro QSAR delegates and exhibitors special rates for those wishing to use the leisure facilities:

Adult Swim	£2.00
Swim/Fitness Zone	£3.00
Swim/Solarium	£4.00
Sauna	£3.60
Fitness Zone/Sauna	£4.40

To take advantage of these special offers, simply produce your conference badge at the leisure suite cash desk.

Where to eat

With 350 restaurants and bistro's to choose from, plus pubs and cafes, you can eat your way around the world here.
Be different and choose Mexican, Lebanese, Thai, Swiss or American dishes. Alternatively, there's plenty of trusty English fare including the all familiar family favourites.

Shopping

Bournemouth is a major, award winning, regional shopping centre. In the Town Centre you will find many of the famous, national high street names supported by a wide range of local speciality shops. In clothing you will find everything from smart casual, formal gowns and wedding dresses to the very latest informal fashion. Wider Bournemouth is made up of a number of shopping centres from Westbourne to Southbourne going via Northbourne. There are specialist areas where you can search amongst the bric-a-brac for an undiscovered masterpiece of visit one of the specialist interior designers.

At night

There are numerous night clubs offering everything from soul to jazz to garage. For those who'd rather watch than dance, there are great performances at four major venues.
Click here to find out more about Bournemouth, and here for information on the conference venue.
Information about accommodation specific to this meeting will appear here at a later date.

Organising committee

N. Cordery, Sirius, UK

J.C. Dearden, Liverpool John Moores University, UK

M.G. Ford (Chairman), University of Portsmouth, UK

D.J. Livingstone, Chemquest, UK

C. Peake, Sirius, UK

H. van de Waterbeemd, Pfizer, UK

Scientific Committee

(Alphabetical order)

J. Bradshaw, Daylight, UK

A. Carpy, University of Bordeaux, France

T. Clark, University of Erlangen-Nurnberg, Germany

G. Cruciani, University of Perugia, Italy

P. Dean, DeNovo Pharmaceuticals, UK

J. C. Dearden, Liverpool John Moores University, UK

J. Devillers, CTIS, France

M. G. Ford (Chairman), University of Portsmouth, UK

R. Franke, Consulting in Drug Design, Berlin

J. Gasteiger, University of Erlangen-Nurnberg, Germany

K. Gundertofte, Lundbeck, Denmark

M.K. Holloway, Merck, USA

H-D. Hoeltje, University of Dusseldorf, Germany

A.J. Hopfinger, University of Chicago, USA

M. Kansy, F. Hoffman La Roche, Switzerland

H. Kubinyi, University of Heidelberg, Germany

D. J. Livingstone, ChemQuest, UK

Y. C. Martin, Abbott Laboratories, USA

J. S. Mason, Pfizer Global Research and Development, UK

U. Norinder, AstraZeneca, Sweden

T. Oprea, AstraZeneca, Sweden

V. V. Poroikov, Inst. Biomedical Chemistry, Russia

W. G. Richards, University of Oxford, UK

D. Rognan, UMR, Strasburg

F. Sanz, IMIM University of Pompeu Fabra, Spain

E. Sener, Ankara University, Turkey

H. van de Waterbeemd, Pfizer Global Research and Development, UK

J. H. Van Drie, Vertex Pharmaceuticals, USA

P. Willett, University of Sheffield, UK

D. A. Winkler, CSIRO Molecular Science, Australia

Register here

Please click on the link below to register for the conference and social programme. We will also add your details to the Euro QSAR 2002 mailing list.
Remember to include your full name and address as well as your chosen social activities and preferred method of payment. We will acknowledge your registration within 24-hours.

Click here to register

If you would like to submit a 250-word abstract for consideration, please click here

Early Bird rates (Before June 15th 2002)

Student £260.00
Academic/Corporate £388.00

Standard rates (June 16th 2002 onwards)

Student £295.00
Academic/Corporate £460.00
Accompanying guest £50.00

Social programme

Ancient Britain Tour including country pub lunch £52.00
Compton Acres Gardens Tour with cream tea £20.00
Waverley Steam Ship Cruise £68.00
Gala dinner at Beaulieu £75.00
Dinner at the Hilton £35.00

Payment

Please make your cheque payable to "EuroQSAR 2002" and send your payment to:
Euro QSAR 2002, c/o Conference Office, Riverside, Forest Row Business Park, Forest Row, East Sussex, UK, RH18 5DW
Or, by bank transfer to:
Barclays Bank plc, Southsea, Portsdown Group, P.O. Box 6, Portsmouth, PO6 3DH
Account Number: 00068888, Branch No.: 20-69-40
You will be sent information as it becomes available. We will not pass your details to anyone else.

Accommodation

All the hotels shown are recommended and available at special delegate rates. Accommodation request forms will be sent with registration confirmation letters, however, please contact us if you would like further information in the meantime.

Please see "How to Book" below

All rates are per night and shown in Pounds Sterling. Terms are per person, per night, for Bed and English Breakfast, inclusive of VAT @ 17.5%. All prices quoted are for en-suite rooms.

Key to hotels

1. Carlton	6. Durley Hall	11. Osbourne House
2. Cecil Court	7. Kiwi 2 Star	12. Norfolk Royale
3. Chislehurst Grange	8. Marsham Court	13. Trouville
4. Connaught	9. Highcliffe Marriott	14. Washington
5. Cremona	10. Mount Stuart

4 Star Hotels

Hotel	Single (£)	Double/Twin Sharing (£)	Double/Twin Single Occupancy (£)	Supplement for One Night (£)	Supplement for Sea View (£)
Norfolk Royale	85.00	75.00	105.00	40.00	N/A
Carlton	75.00	75.00	100.00	30.00	15.00
Marriott	N/A	56.00	112.00	See Note*	20.00

* Minimum stay of 5 nights, unless Sunday one night where £112 applies per room

3 Star Hotels

Hotel	Single (£)	Double/Twin Sharing (£)	Double/Twin Single Occupancy (£)	Supplement for One Night (£)	Supplement for Sea View (£)
Connaught	55.00	55.00	75.00	N/A	N/A
Marsham Court	49.00	39.00	59.00	40.00	N/A
Trouville	47.50	47.50	57.50	N/A	N/A
Royal Exeter	50.00	40.00	60.00	N/A	N/A
Durley Hall	45.00	45.00	50.00	N/A	N/A

2 Star Hotels

Hotel	Single (£)	Double/Twin Sharing (£)	Double/Twin Single Occupancy (£)	Supplement for One Night (£)	Supplement for Sea View (£)
Kiwi	31.00	31.00	41.00	N/A	3.00 pp
Cecil Court	30.00	30.00	40.00	10.00	N/A

Other recommended hotels

Hotel	Single (£)	Double/Twin Sharing (£)	Double/Twin Single Occupancy (£)	Supplement for One Night (£)	Supplement for Sea View (£)
Washington	28.00	28.00	38.00	0.00	N/A
Chislehurst	24.00	29.00	35.00	0.00	N/A
Cremona	22.00	22.00	37.00	0.00	N/A
Mount Stuart	20.00	25.00	28.00	3.00	N/A
Osbourne Ho	N/A	30.00	40.00	0.00	N/A

For more information on hotels, please click here

How to book

Hy Conference Action Bournemouth have been chosen as the only official hotel booking service for this conference. If you would like to book accommodation, please print off this form (click here), complete it and send it to Hy Conference Action at:

Fax: +44 (0) 1202 558000

Hy Conference Action Bournemouth, 4 Westover Road, Bournemouth, UK, BH1 2BY

Central Booking Office

Rooms at the featured hotels have been allocated to Hy Conference Action Bournemouth for delegates booking through the Central Booking Service, which is provided to make the booking of accommodation easier for delegates. For this reason, if you contact hotels directly, they will advise you that they are full, when in fact this may not be the case - it means that they have no unallocated rooms left. Bookings should be submitted on the official forms (distributed with registration confirmations) along with a deposit of 20% of the value of the booking (cheques should be made payable to Hy Conference Action Bournemouth). This non-returnable deposit will be deducted from your final account, which should be settled before your departure from your hotel (unless you have made prior credit arrangements directly with the hotel). Payment of the deposit can be made by Visa or Mastercard. Your booking will be confirmed by letter of acknowledgement, which will give you the name, address and telephone number of your hotel, and details of the accommodation and services reserved for you. Unless instructed otherwise, Hy Conference Action Bournemouth will send one acknowledgement to cover all people named on the booking form.

Cancellation and charges

If, for any reason, you have to cancel, or make changes to your reservation before August 4th 2002, then you should advise the Central Booking Office as soon as possible in writing. Cancellations and changes which are necessary after August 8th 2002, should be advised directly to your hotel in writing. In the period between these dates, please avoid giving notice of cancellations or changes, because in that time, bookings are due to be transferred from the Central Booking Service to the hotels. Cancellations made five weeks or more before arrival will be subject to an administrative charge, but will not incur cancellation charges; deposits will be returned. Cancellations made within five weeks of arrival will be subject to a loss of deposit and, if the vacancy is not filled, the hotel can claim additional reasonable cancellation charges. Changes made at any time will be subject to an administrative charge, unless the change increases the value of the booking. Allowance cannot be made for meals not taken, for temporary absence, late arrival or premature departure.