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Scott McDonald gained an MChem in Chemistry with Medicinal Chemistry from the University of Salford in 1999, during which he spent time working in R&D at both Astra-Zeneca and GSK. After graduating he started work as a Research Chemist for Croda Universal, involved in the development of novel slip additives for plastics, before taking a change of direction and moving into speciality chemical sales for the Personal Care division of Croda Chemicals. He was responsible for the sale of a wide range of personal care raw materials such as surfactants, emulsifiers, solubilisers, botanical extracts and speciality bioactives within the UK and Europe. After working for Croda for 3 years he moved to Surfachem, a UK based chemical distributor, again working on speciality chemical sales within the UK market. He joined Lhasa Ltd as an account manager in late 2003 to work on sales of their 3 software products (Derek for Windows, Meteor and Vitic) to pharmaceutical, chemical and personal care companies globally.
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| Workshop, 11.00-17.30, 6 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
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.
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