HOME- Bryn Mawr Conference
- Workshops & Training
- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- 2009 Oxford (Discovery)
- 2009 Oxford (ADMET)
- Bassan, A
- Cronin, M
- Hardy, B
- Helma, C
- Hopfinger, T
- Judson, P
- Leahy, D
- Madden, J
- Michielan, L
- Narayanan, D
- Myatt, G
- Obrezanova, O
- Thomas, S
- Zamora, I
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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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Category Formation and Read-Across
Mark Cronin (School of Pharmacy and Chemistry, Liverpool John Moores University)
One of the simplest and powerful approaches to predict toxicity is to group chemicals together into categories. If the group, or category, can be populated with reliable and relevant existing data, read-across can be performed to make predictions of toxicity. Whilst the concept is simple, and increasingly applied, the key is to form reliable categories. This workshop will illustrate the formation of categories from structural analogues, mechanisms of toxic action, as well as chemicals with similar modes. This will be illustrated through the freely available OECD (Q)SAR Application Toolbox.
In this workshop the group will:
* Be given an introduction to the background and philosophy of the OECD (Q)SAR Toolbox
* Obtain hands-on experience of the Toolbox to illustrate:
- Basic functionality
- Chemical structure input
- Data retrieval facilities
- Category formation
- Read-across
* Carry out category formation, read-across and analogue approaches to predicting toxicity
* Model the “toxicity pathway” from chemistry to effect
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