Research Group Members

Academic Staff

Peter Willett Professor Peter Willett
Head of Group
Tel: 0114 2222633
Room 229
I focus principally on the development of novel techniques for a range of important applications in chemoinformatics, but I have also made significant contributions to information retrieval and increasingly to bibliometrics.
Val Gillet Professor Val Gillet
Tel: 0114 2222652
Room 233
I focus on the development and application of chemoinformatics techniques that are used primarily in the design of novel bioactive compounds. I have expertise in data mining and machine learning methods including emerging pattern mining, multiobjective evolutionary algorithms and graph theory.

Research Staff


Dr Antonio de la Vega de Leon
Room 323

I'm interested in the development of computer tools to assist medicinal chemists, especially in designing methods to assist in the design of novel molecules with desired properties using publicly available data from chemical databases. My job at Sheffield involves the application of this experience to the development of chemical probes that can interrupt the binding of the prion protein and its binding partners in the context of Alzheimer's disease.
man Dr Matthew Seddon
Room 323
My research interests focus on novel mathematical representations of 3D molecular shape. In particular I am interested in applications of spectral geometry to flexible molecular shape. My other research interests involve machine learning and probabilistic models.

PhD Researchers

woman Christina Founti
Room 323
I focus on the evaluation of QSAR models using methods that account for the uncertainty in individual predictions.
man Gianmarco Ghiandoni
Room 323
I focus my studies on the Development of de Novo Design and Reaction Classification techniques.
woman Jess Stacey
Room 323
My research focuses on providing a lead optimisation tool that allows chemists to explore the chemical space that has previously been worked in for a certain target. This tool should then be able to suggest molecules or areas of chemical space that should be explored with reasoning. This should allow the chemist to have a greater understanding as to why a certain molecule has been selected to explore for a certain target.
man James Webster
Room 323
I focus on the design and development of novel methods for de novo design, leveraging techniques found in decision theory.