Professor Peter Willett - p.2

Departmental responsibilities

Deputy Head of Department, Unfair Means Officer

Research students

• Shereena Arif
• Ayati Bakri
• Chia-Wei Chu
• Nurul Malim
• Christopher Mueller
• George Papadatos

University activities

Chair of the Student Attendance Monitoring Review Committee of the Faculty of Pure Science
Member of:

• the Discipline Committee
• the Grievance Committee
• the Freedom of Information Group

External activities

• Trustee of the Chemical Structure Association Trust (2001-)
• Editorial boards of Journal of Chemoinformatics (2006-), Journal of Computer-Aided Molecular Design (2000-), Journal of Molecular Graphics and Modelling (1998-) and QSAR and Combinatorial Science (2003-).  Previously on the editorial boards of Journal of the American Society for Information Science (1983-99), Journal of Chemical Information and Computer Sciences (1991-2001), Journal of Combinatorial Chemistry (1998-99), Journal of Documentation (1987-93 and 1994-2002), Information Retrieval (1996-2001), SAR and QSAR in Environmental Research (1992-2004), QSAR & Combinatorial Science (2003-09) and Tetrahedron Computer Methodology (1987-92)
• Refereeing of articles for 65 different journals
• Refereeing of grant proposals for 20 different funding agencies
• Acting as an external examiner for MSc, PhD and DSc theses for 23 different universities
• Acting as an advisor for promotion or chair committees for 21 different universities
• Member of the Review Panel (2006-2008) for the Wheatley Medal of the Society of Indexers
• Advisor for the European Medicines Agency

Recent presentations

• "Ligand-based virtual screening using measures of structural similarity" Department of Chemistry and Biology, University of Bern (May 2010)
• "The development of chemoinformatics: an historical overview" Symposium on Biological and Chemical Informatics for Health: Foundations for Systems Biology, Brunel University (June 2009)
• "Identification of structural equivalences using reduced graphs", Department of Chemistry, University of Sheffield
• "Chemoinformatics and information management" MCISB/NaTCemM Workshop on Chemical markup, informatics and data-driven science (Manchester, March 2008)
• “Measurement of structural similarity for chemical database searching”, Chemogenomics Workship, Ohio State University (May 2007

Recent publications

Willett, P.  "Similarity methods in chemoinformatics."  Annual Review of Information Science and Technology, 43, 2009, 3-71.

Willett, P. "From chemical documentation to chemoinformatics: fifty years of chemical information science."  Journal of Information Science, 34, 2008, 477-499.

Birchall, K., Gillet, V.J., Willett, P., Ducrot, P. & Luttmann, C. "Use of reduced graphs to encode bioisosterism for similarity-based virtual screening".  Journal of Chemical Information and Modeling, 49, 2009, 1330-1346.

Maheswaran, R., Craigs, C., Read, S., Bath, P.A. & Willett, P.  "A graph-theory method for pattern identification in geographical epidemiology – a preliminary application to deprivation and mortality". International Journal of Health Geographics, 8:28, 2009 (doi: 10.1186/1476-072X-8-28).

Chen, B., Mueller, C. & Willett, P. "Evaluation of a Bayesian inference network for ligand-based virtual screening". Journal of Cheminformatics, 1:5, 2009 (doi: 10.1186/1758-2946-1-5)

Arakaki, M. & Willett, P. "Webometric analysis of departments of librarianship and information science: a follow-up study."  Journal of Information Science, 35, 2009, 143-152.

Gardiner, E.J., Hunter, C.A. & Willett, P.  "Structural fingerprints of transcription factor binding site regions."  Algorithms, 2, 2009, 448-469.

Chu, C.W., Holliday, J.D. & Willett, P.  "Effect of data standardization on chemical clustering and similarity searching".  Journal of Chemical Information and Modeling, 49, 2009, 155-161.

Papadatos, G., Cooper, A.W.J., Kadirkamanathan, V., Macdonald, S.J.F., McLay, I.M., Pickett, S.D., Pritchard, J.M., Willett, P. & Gillet, V.J., "Analysis of neighborhood behaviour in lead optimisation and array design".  Journal of Chemical Information and Modeling, 49, 2009, 195-208.

Willett, P. "A bibliometric analysis of chemoinformatics."  Aslib Proceedings, 60, 2008, 4-17.

Haranczyk, M., Holliday, J.D., Willett, P. & Gutows, M. "Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine."  Journal of Computational Chemistry, 29, 2008, 1277-1291.

Bakri, A. & Willett, P. "The Malaysian Journal of Library and Information Science 1996-2006: a bibliometric study."  Malaysian Journal of Library and Information Science, 13, 2008, 103-116.

Patel, Y., Gillet, V.J., Howe, T., Pastor, J., Oyarzabal, & Willett, P. "Assessment of additive/non-additive effects in structure-activity relationships: implications for iterative drug design".  Journal of Medicinal Chemistry, 51, 2008, 7552-7562.

Holliday, J.D. & Willett, P. "The influence of the DARC Project on chemoinformatics research at the University of Sheffield."  Actualité Chimique, 320/321, 2008, 45-50.

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