The Spring meeting was be held at Unilever, Colworth Park, Bedford on 23rd April 2013. The Agenda and slide sets are now available -see below.
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UK-QSAR & Cheminformatics Group Meeting 23rd April 2013 |
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Start |
End |
Topic |
Speaker |
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09:00 |
09:30 |
Registration |
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Session 1 |
(Chair) Nora Aptula |
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09:30 |
09:35 |
Group business |
John Delaney |
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09:35 |
09:45 |
Welcome and Introduction to Colworth Science Park |
Wesley Randle (Colworth Science Park) |
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9:45 |
10:00 |
Introduction to SEAC, Unilever |
Carl Westmoreland (Unilever) |
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10:00 |
10:30 |
Role of Chemistry in Adverse Outcome Pathways |
Steve Gutsell (Unilever) |
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10:30 |
11:00 |
Predicting Organ Level Adverse Effects: European Projects Linking Repeat Dose Toxicity Data to Structure and Toxicity |
Mark Cronin (Liverpool John Moores University) |
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11:00 |
11:30 |
Tea/Coffee |
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Session 2 |
(Chair) Steve Gutsell |
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11:30 |
12:00 |
Making Trusted Predictions of Toxicity: The Use of Expert Systems |
Chris Barber (LHASA, Leeds) |
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12:00 |
12:30 |
Analysis and Modelling of Molecular Transporters | David Marcus and Lora Mak (Unilever Centre for Molecular Science Informatics) |
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12:30 |
13:00 |
Poster Introductions (2-3mins each) | |
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13:00 |
14:00 |
Lunch and posters | |
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Session 3 |
(Chair) John Delaney |
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14:00 |
14:30 |
Introducing Uncertainty into Predictive Modelling |
Ulf Norinder (Lundbeck, Denmark) |
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14:30 |
15:00 |
Molecular Simulations of Ion Channels: Elucidating Mechanisms of Function and Drug Intervention |
Ulrich Zachariae (Dundee University) |
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15:00 |
15:30 |
Tea/Coffee |
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Session 4 |
(Chair) John Delaney |
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15:30 |
16:00 |
Using QSAR and Ion Channel Screening to Predict Drug-induced Pro-arrhythmic Risk |
Gary Mirams (Oxford University) |
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16:00 |
16:30 |
Quantitatively Interpreted Enhanced Inhibition of Cytochrome P450s by Heteroaromatic Rings Containing Nitrogen |
Nathan Kidley Syngenta |
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16:30 |
16:35 |
Closing Remarks |
John Delaney |