Biography

I joined the computing department after completing a BSc in Chemisty at the University of Surrey in June 2011 to work as a research associate for the Knowledge Transfer Partnership (KTP) with Lhasa Limited. More details can be seen on the research tab.

In October 2011 I also started as a part-time PhD student investigating machine learning for toxicity prediction. This work focuses more on the applications of machine learning in the chemistry domain. My principal supervisor is Prof Paul Krause and my co-supervisor is Dr Brendan Howlin (FHMS).

Research Interests

My main area of interest lies in computational chemistry. I am currently working on machine learning approaches to toxicity prediction, which forms the basis of both my KTP and PhD positions at the University. 

My main interests include working on scientific issues using:

• Artificial intelligence and machine learning
• Computational chemistry

In the past I have worked on utilising ab initio calculations and experimental techniques to assign the vibration spectra of a set of molecules, see publications. 

Publications

Webb, S.J., Dines, T.J, Tomkinson, J., Assignment of the low frequency modes of the catalytic surface modifier cinchonidine and its diastereomer cinchonine, Journal of Vibrational Spectroscopy, 2011, 57(1), pp. 116-125