Meetings

Autumn Meeting 2013:

UK-QSAR and ChemoInformatics Group Autumn Meeting

Tuesday 15th October 2013

AstraZeneca

Alderley Park (Helix 1/2)

Registration is now closed. If subsequently you find that you are not able to attend please inform the organizers using this email address ukqsar@ukqsar.org

Information regarding travel and accommodation can be found here

Revised Agenda

UK_QSAR & Chemoinformatics Group Meeting 15th October 2013
AstraZeneca, Alderley Park conference Centre (Helix I/II)

Start

End

Topic

Speaker

09:00

09:30

Registration / Tea & Coffee
(Breakfast roll)

 

Session 1

09:30

09:40

Safety/Group business  

9:40

10:00

Welcome to AZ/ Future Challenges for Drug Design

John Cumming (Global Project Manager – Predictive Chemistry AstraZeneca)

10.00

10.30

Inhibition of Protein-Protein Interactions Using Designed Molecules

[Download pdf]

Prof Andrew J. Wilson (University of Leeds)

10.30

11:00

Property and Potency Prediction by Generalised Similarity [Download pdf]

David Buttar
(AstraZeneca)

11:00

11:30

Tea & Coffee

11:30

12:00

Early stage structure driven PBPK modelling

[Download pdf]

Daniel Mucs (Cyprotex)

12:00

12:30

Challenges and recent developments in the prediction of cytochrome P450 mediated site-of-metabolism

[Download pdf]

Patrik Rydberg (University of Copenhagen)

12:30

12:40

Flash Intro’s to Posters

12:40

14:00

Lunch/Posters

Session II

14:00

14.30

Decision trees to characterise the roles of permeability and solubility on oral absorption.[Download pdf] Danielle Newby, (Universities of Kent and Greenwich)

14.30

15.00

Development of a quantitative model to support the assignment of orphan drug status.[Download pdf] Pedro Franco(University of Sheffield)

15.00

15.30

Tea/coffee

15:30

16.00

Finding and Using Activity Cliffs in 3D
[pdf not available yet]

Tim Cheeseright(Cresset)

16.00

16.15

Final remarks & Close