Professor of Practice & Head of Molecular Informatics Group, Newcastle University
Newcastle upon Tyne, United Kingdom
Professor of Practice & Head of Molecular Informatics Group, Newcastle University
Newcastle upon Tyne, United Kingdom
Active in scientific innovations related to drug discovery for over 20 years, particularly interested in computer based drug design approaches incuding cheminfomatics, PBPK simulation and systems biology modelling.
Spent a number of years very focussed on experimental and software-based approaches to ADMET and pharmacokinetics.
More recently have become interested in developments around the semantic web, e-Science, Service-Oriented Architectures and the application of agent architectures to automate decision making drug design (www.discoverybus.com) Also active in developing new businesses in these areas and new businesses based on software as services concepts.
Main current research area is in automated decision making for drug design (www.discoverybus.com)
QSAR
Drug discovery
Drug Discovery technology
Simulation approaches to systems biology
Autonomous agents applied to integration of molecular design algorithms
The semantic grid
service oriented architectures
drug discovery innovation, agent systems, cheminformatics, open source drug discovery, Long Tail