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
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UK_QSAR & Chemoinformatics Group Meeting 15th October 2013 |
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Start |
End |
Topic |
Speaker |
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09:00 |
09:30 |
Registration / Tea & Coffee |
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Session 1 |
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09:30 |
09:40 |
Safety/Group business | |
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9:40 |
10:00 |
Welcome to AZ/ Future Challenges for Drug Design |
John Cumming (Global Project Manager – Predictive Chemistry AstraZeneca) |
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10.00 |
10.30 |
Inhibition of Protein-Protein Interactions Using Designed Molecules |
Prof Andrew J. Wilson (University of Leeds) |
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10.30 |
11:00 |
Property and Potency Prediction by Generalised Similarity [Download pdf] |
David Buttar |
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11:00 |
11:30 |
Tea & Coffee |
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11:30 |
12:00 |
Early stage structure driven PBPK modelling |
Daniel Mucs (Cyprotex) |
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12:00 |
12:30 |
Challenges and recent developments in the prediction of cytochrome P450 mediated site-of-metabolism |
Patrik Rydberg (University of Copenhagen) |
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12:30 |
12:40 |
Flash Intro’s to Posters |
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12:40 |
14:00 |
Lunch/Posters |
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Session II |
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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) |
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14.30 |
15.00 |
Development of a quantitative model to support the assignment of orphan drug status.[Download pdf] | Pedro Franco(University of Sheffield) |
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15.00 |
15.30 |
Tea/coffee |
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15:30 |
16.00 |
Finding and Using Activity Cliffs in 3D [pdf not available yet] |
Tim Cheeseright(Cresset) |
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16.00 |
16.15 |
Final remarks & Close |
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