HOME- Bryn Mawr Conference
- Workshops & Training
- 2010 Oxford (Discovery)
- 2010 Oxford (ADMET)
- Hardy, B
- Hardy, L
- Jeliazkova, N
- Judson, R
- Leahy, D
- Li, J
- Myatt, G
- Rydberg, P
- Tsaioun, K
- Wiseman, J
- Bursary Award
- Location
- 2009 Oxford (Discovery)
- 2009 Oxford (ADMET)
- 2008 Oxford
- Program
- Exhibition
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- Schedule
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| About David Leahy (Discovery Bus) |
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Professor David Leahy has over 25 years experience in drug discovery and development working as scientist, manager and entrepreneur in innovative new technology, strategic change, and business start up. He holds a position as a Professor of Practice at Newcastle University acting as an advisor to Newcastle Science City on developing drug discovery as a driver for regional economic development.
Following a Ph.D. in Physical Organic Chemistry, Professor Leahy spent 15 years in Research with what is now AstraZeneca developing numerous innovative technologies alongside active drug discovery projects. At AstraZeneca he managed a major component of the drug discovery operation while also leading global strategic change initiatives aimed at improving productivity, particularly in the preclinical phase. He left AstraZeneca to found Cyprotex PLC, a unique, commercially successful and globally recognised company with a niche position in the provision of laboratory information on multiple drug properties. He led the company through start up, flotation on the London Stock Exchange and on to commercial success as CEO and CSO. He left Cyprotex in 2005 to pursue new business ideas, incuding Inkspot Science and Molplex but remains actively involved in advising businesses in the sector on strategy and M&A opportunities.
In 2007, Prof Leahy was appointed to a position at Newcastle University as a "Professor of Practice in the Business School and was actively engaged in drug discovery research and as an advisor to Science City, a threeway (City, Region and University) collaboration focussed on improving the business environment for drug discovery companies in Newcastle and its surrounding region. He is also launching new business ideas in the general area of using the internet to enable scientists across the world to engage in drug discovery and development. He has extensive hands on research experience in the development of novel software based solutions to automation of drug design.
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Datamining and Predictive Toxicology Workflows
David Leahy (Discovery Bus)
The session will demonstrate best practice workflow approaches applied to automating QSAR modelling with examples using the Inkspot Science workflow composition, hosting and collaboration systems and ADMET datasets. The Inkspot hosted system makes it easy for the user to compose and test QSAR modelling methods and explore modelling parameters without programming and in an environment that supports the sharing of methods and results. We will also review QSAR modelling results generated by the Discovery Bus, a highly automated combinatorial workflow system that has been applied to the generation of multiple QSAR models for more than 10,000 datasets from the ChEMBL structure-property database to compare modelling method performance and questions of model validation and applicability. The workflow approach supported by such data and models will be applied to workshop case study problems.
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