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| Workshop, 11.00-17.30, 6 July & 09.00-10.00, 7 July 2006, Chemistry Research Laboratory, Oxford University |
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Predictive Toxicology
Workshop Instructors: Mark Cronin, Liverpool John Moores University and Scott McDonald, Lhasa Limited
July 6:
This workshop will cover the following topic areas in Predictive Toxicology:
* General methods for predictive toxicology e.g., expert systems and what they tell you
* Predicting toxicology for pharmaceuticals e.g., screens in lead generation, use in lead optimisation
* Use of QSAR by regulatory agencies, especially US FDA
Workshop exercises using software from Lhasa will be used to work through problems. The Lhasa expert systems Derek and Meteor will be used to run exercises demonstrating what kind of results they are capable of producing. The exercises will examine chemical structure processing through Derek, look at the alerts that fire for compounds, discuss why the alerts have fired and what this means. The structures will then be processed through Meteor and the predicted metabolites sent back to Derek for toxicity prediction. The Vitic client-server solution and its use in conjunction with Derek will also be demonstrated.
Finally, the group will work through work flow exercises in lead generation and lead optimisation using a combination of Derek, Meteor and Vitic.
July 7:
Mark Cronin will review and discuss
* Experiences of class with use of predictive toxicology methods used in workshop
* Future of predictive toxicology, new advances, lessons learnt from REACH, etc.
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Mark Cronin has over 15 years expertise in the use of quantitative structure-activity relationships (QSARs) to predict toxicity. These studies centre around the desire to develop alternative methods to replace animal testing. More specifically they are devoted to predicting the environmental fate and effects of chemicals, and human health endpoints, including those that may be related to drug toxicity. Mark maintains a large number of international collaborations and has secured much funding to develop predictive toxicological techniques.
He is currently in the School of Pharmacy and Chemistry at Liverpool John Moores University where he teaches on the Master of Pharmacy programme and associated courses. Mark Cronin has over 150 publications in the area of toxicological QSAR, in addition to the fundamental textbook "Predicting Chemical Fate and Toxicity". He co-chaired the 11th International Workshop on QSAR in the Human Health and Environmental Sciences in Liverpool (May 2004) and is involved actively with the BioActive Sciences Group at the Society of Chemical Industry and SETAC-UK.
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