Selected Publications and Talks

Hugh Cartwright
Chemistry Department, Oxford University
Physical and Theoretical Chemistry Laboratory
South Parks Road, Oxford, England OX1 3QZ

hugh.cartwright@chem.ox.ac.uk
http://physchem.ox.ac.uk/~hmc

Books

Hugh M. Cartwright. Using Artificial Intelligence in Chemistry and Biology: A Practical Guide. Taylor & Francis, May, 2008. Book preface
Hugh M. Cartwright & Les M. Sztandera (eds). "Soft Computing Approaches in Chemistry" Springer-Verlag, Berlin, 2003. Preface (pdf) List of chapters and contributing authors.
Hugh Cartwright (ed.) Intelligent Data Analysis in Science. Volume 4 in the Oxford Chemistry Masters Series, Oxford University Press 2000. ISBN 0-19-850233-8. Book details and preface.
Hugh M. Cartwright Applications of Artificial Intelligence in Chemistry. Volume 11 in the Oxford Chemistry Primers Series, Japanese translation, Maruzen Co, Tokyo, 1995. ISBN 4-621-04088-X
Hugh M. Cartwright Applications of Artificial Intelligence in Chemistry., Volume 11 in the Oxford Chemistry Primers Series, published by Oxford University Press. 1993. ISBN 0-19-855736-1 Book preface

Other Recent Publications

Hugh M Cartwright Artificial neural networks in Biology and Chemistry - the evolution of a new analytical tool. Invited chapter in Neural Networks: Methods and Applications ; Methods in Molecular Biology, 2008, 458, 1-13; DJ Livingstone (ed), Humana Press.
Hugh M. Cartwright Boring but vital - How should we teach our students about chemical safety?. Selected papers on Hands-on Science, Costa MF, Dorrio BV, Michaeilides P and Divjak S (Eds); Hands-on Science Network, Portugal, 201-211, 2008.
Hugh M. Cartwright How to engage science students using demonstrations. Selected papers on Hands-on Science, Costa MF, Dorrio BV, Michaeilides P and Divjak S (Eds); Hands-on Science Network, Portugal, 320-327, 2008.
Alethea Leung, Hugh M. Cartwright and Teodora Rusu Self-organizing maps in the simultaneous determination of mixed fluorescent dyes by synchronous fluorescence. The Analyst, (submitted).
Xi Chen, Les Sztandera and Hugh M. Cartwright A Neural Network Approach to the Prediction of the Glass Transition Temperature of Polymers. Int. J. Intelligent Systems, 23, 22-32, 2008.
Teodora Rusu and Hugh Cartwright Artificial Intelligence Methods for the Rapid Classification of Chemical Compounds. Proceedings of the 5th Conference on New Research Trends in Material Science, Vol, II, pp 524-527, 2007.
Hugh M Cartwright Development and Uses of Artificial Intelligence in Chemistry; invited chapter in Reviews in Computational Chemistry; Kenneth Lipkowitz (ed.), Wiley-VCH, pp 349-390, 2007.
Jason WH Wong, Matthew Sullivan, Hugh Cartwright and Gerard Cagney msmsEval: Tandem Mass Spectra Quality assignment for High-throughput Proteomics, BMC Bioinformatics, 8:51, 2007. doi:10.1186/1471-2105-8-51
Chi Xi, Les Sztandera and Hugh M. Cartwright Prediction of the glass transition temperature of polymers using neural network and multiple linear regression. DWI Reports , Issue 130, 2006.
Hugh M Cartwright Who, or what, is the teacher? How Artificial Intelligence will control Lifelong learning. Proceedings of the 3rd International Conference on Hands-on Science; pp 576-580, MF Costa and BV Dorrio (Eds.); September 2006, University of Minho, Braga, Portugal
Hugh M Cartwright How to engage science students using demonstrations. Proceedings of the 3rd International Conference on Hands-on Science; pp 38-43, MF Costa and BV Dorrio (Eds.); September 2006, University of Minho, Braga, Portugal
Hugh M Cartwright, Les Sztandera and Rohan M. Gunatillake Genetic algorithms and neural networks in the molecular design of novel fibres. Presented at the 2nd DEXA workshop: Philosophies and Methodologies for knowledge discovery, deployment and development of decision support systems; Krakow, Poland, September 2006.
Jason WH Wong, Gerard Cagney and Hugh M Cartwright Modeling and resolving overlapping peaks for accurate quantitation of mass spectrometry biomarker signals. Presented at the 17th International Mass Spectrometry Conference, Prague, 2006.
Hugh M. Cartwright, Les Sztandera and Chih-Chung Chu Genetic Algorithms in Molecular Design of Novel Fibers. NTC Annual Report, September, 2005.
Mark D. Fricker, Dan Bebber, Peter R Darrah, Monika Tlalka, Sarah C Watkinson, Lynne Boddy, Lisa Yiasoumis, Hugh M. Cartwright, Audrius Meskauskas, David Moore, David M.D. Smith, Toshiyuki Nakagaki, Chiu F. Lee and Neil Johnson. Inspiration from Microbes: From Patterns to Networks. (In press.)
Jason WH Wong, Caterina Durante and Hugh M Cartwright Application of Fast Fourier Transform Cross-correlation for the Alignment of Large Chromatographic and Spectral Datasets. Anal. Chem; 77(17), 5655-5661 (2005). http://pubs3.acs.org/acs/journals/doilookup?in_doi=10.1021/ac050619p
Hugh M Cartwright CRC Handbook of Thermodynamic Data of Polymer Solutions at Elevated Pressures - a review. Chemical Educator; 2005, Vol 10(3), 241.
Hugh M Cartwright Teaching University Students Chemistry - a review. Chemical Educator; 2005, Vol 10(3), 236-237.
Les Sztandera, Chih-Chung Chu and Hugh Cartwright Genetic Algorithms in Molecular Design of Novel Fibers. NTC Research Briefs, June 2005.
Hugh M Cartwright Boring but Vital - How should we teach our students about Chemical Safety? Proceedings of HSci2005 Hands-on Science: Science in a Changing Education, pp 142 - 149, July 2005, Rethymno, Crete.
Jason WH Wong and Hugh M Cartwright Deterministic projection by growing cell structure networks for visualization of high-dimensionality datasets. J. Biomed. Inform.; 38(2005) 322-330. http://dx.doi.org/10.1016/j.jbi.2005.02.002
Hugh M Cartwright Introduction to Machine Learning - a review. The Chemical Educator 2005, pp 164-165.
Jason WH Wong, Gerard Cagney and Hugh M Cartwright SpecAlign - processing and alignment of mass spectra data sets. Bioinformatics May 2005; 21: 2088-2090.
Hugh M Cartwright Mathematical Methods for Scientists and Engineers - a review. The Chemical Educator 2004, pp 55-57.
Hugh M Cartwright and Neil Whitehead The Development of on-line Experiments. Proceedings of the 1st International Conference on Hands-on Science, Ljubljana, Slovenia, July 2004, pp 141-146.
Hugh M Cartwright Introduction to Evolutionary Computation and Evolutionary Algorithms, in Application of Evolutionary Computation to Chemistry, Roy Johnston (ed.), Springer-Verlag, Heidelberg, 2004.
Hugh M Cartwright and Christopher Jones Neural Network Based Assessment of Materials for Chemical Protection Gloves. Proceedings of EUROCON 2003 (Computer as a Tool), Ljubljana, Slovenia, September 2003, Vol II, pp 319-323.
Hugh M Cartwright Web-based Experiments in Physics and Chemistry, in New directions in the teaching of physical sciences, Paul Chin and Roger Gladwin (eds). LTSN, May 2003.
Hugh M Cartwright and David Issott Genetic Algorithm Evolution of Fuzzy Production Rules for the On-line Control of Phenol-Formaldehyde Resin Plants. pp 237 - 264 in: "Soft Computing Approaches in Chemistry" Hugh M. Cartwright & Les M. Sztandera (eds). Springer-Verlag, Berlin, 2003.
Hugh M Cartwright and Andrew Porter Real-time Monitoring of Environmental Pollutants in the Workplace Using Neural Networks and FTIR Spectroscopy. pp 205 - 236 in "Soft Computing Approaches in Chemistry" Hugh M. Cartwright & Les M. Sztandera (eds). Springer-Verlag, Berlin, 2003.
Hugh M Cartwright and Ketan Patel Clustering of Large Data Sets in the Life Sciences. pp 31 - 50 in "Soft Computing Approaches in Chemistry" Hugh M. Cartwright & Les M. Sztandera (eds). Springer-Verlag, Berlin, 2003.
Hugh M Cartwright Swarm Intelligence - a review. Chemical Educator 2002, 7(2), 123-124.
Hugh M Cartwright Investigation of Structure-Biodegradability Relationships in Polychlorinated Biphenyls using Self-organizing Maps. Neural Computing and Applications. 2002, 11: pp 30-36.
Hugh M Cartwright ChemHELP - a review. Chemical Educator 2002, 7(1), 48-49.
Hugh M Cartwright and Kevin Valentine A Spectrometer in the Bedroom - the Development and Future of Internet-based Experiments. Computers and Education 38, 53-64, 2002.
Hugh M Cartwright and Lisa T Yiasoumis Chemical and Biological Remediation: Cellular Automata Studies of Bacteria under Stress. Volume X, pp 602-606, Proceedings of the 5th World Multiconference on Systemics, Cybernetics and Informatics (SCI 2001) and 7th International Conference on Information Systems, Analysis and Synthesis (ISAS 2001) , Orlando, Florida, July 2001. Abstract.
Hugh M Cartwright Physical Chemistry - a review. Chemical Educator 6, 262 - 263, 2001.
Hugh M Cartwright and Lisa T Yiasoumis Undergraduate Projects in the Application of Artificial Intelligence to Chemistry. III. Cellular Automata Chemical Educator 6, 247 - 254, 2001. Supporting material. Abstract
Hugh M Cartwright Instruments and Experimentation in the History of Chemistry - a review. Chemical Educator 6, 263 - 264, 2001.
Hugh M Cartwright Nationalizing Science. Adolphe Wurtz and the Battle for French Chemistry - a review Chemical Educator 6, 139 - 140, 2001.
Hugh M Cartwright Why Should on-line Experiments Form Part of University Science Courses? CAL-laborate , October 2000, 6-9.
Hugh M Cartwright Undergraduate Projects in the Application of Artificial Intelligence to Chemistry. II. Self-Organizing Maps. Chemical Educator 2000, 5, 196-204. Supporting material. Abstract
Hugh M Cartwright Igniting Students: Do Large-Scale Undergraduate Research Projects Enthuse or Defuse? Paper 3 in the Spring 2000 CONFCHEM Conference on The Role and Nature of Research by Undergraduates in Chemistry. HTML version of paper
Hugh M Cartwright Undergraduate Projects in the Application of Artificial Intelligence to Chemistry. I. Background. Chemical Educator pp 3-6, 4(6), 1999. HTML abstract. Download paper as pdf file.
Hugh M Cartwright Web-based Interactive Experiments - The Future. Presented at the International Conference on Conceptual Learning of Science , St Petersburg, Russia, September 16-18, 1999. HTML abstract
Hugh M Cartwright Molecular Thermodynamics - a review, Chemical Educator, 4(3), 1999. HTML copy of paper
Hugh M Cartwright Critical Safety Incidents - a review Chemical Educator, 4(1), 1999.
Hugh M Cartwright Remote control: How science students can learn using Internet-based experiments. New Network-based Media in Education ; Proceedings of the International CoLoS Conference, Maribor, Slovenia, September 1998, pp 51-59. Abstract
Hugh M Cartwright Long-distance experiments: The use and control of scientific equipment through the internet. New Network-based Media in Education ; Proceedings of the International CoLoS Conference, Maribor, Slovenia, September 1998, pp 102-106. Abstract.
Hugh M Cartwright Applied Mathematics for Physical Chemistry - a review. Chemical Educator, 3(6), 1998.
Hugh M Cartwright On the Surface of Things - a review. Chemical Educator, 3(6), 1998.
Hugh M Cartwright Chemiluminescent delay: an experiment in stopped flow kinetics Chemical Educator, Vol 1 No. 6, 1997.
Hugh M Cartwright Nature doesn't solve equations - so why should we? Mathematically-lean simulations in chemistry. Paper 6, CHEMCONF on-line conference, summer 1997. Hyperlink to paper.
Hugh M Cartwright Ben Jesson and Les M Sztandera Intelligent algorithmic interpretation of pollutant discharges from multi-unit industrial complexes. Int. J. Intelligent Systems, 12, pp 655-672 (1997). Abstract
Hugh M Cartwright and Ben Jesson The analysis of waste flow data from multi-unit industrial complexes using genetic algorithms. pp 183-197, Modern Heuristic Search Methods Ed. V.J.Rayward-Smith, John Wiley & Sons Ltd, 1996.
Hugh M Cartwright and Julie A Hopkins Evolutionary design of synthetic routes in chemistry. pp 34-48, Proceedings of the AISB Conference on Evolutionary Computing, University of Sussex, Brighton, UK, April 1996. Abstract
Hugh M Cartwright, Ben Jesson and Les M Sztandera Intelligent algorithmic interpretation of waste flow data from multi-unit industrial complexes. pp 324-327, Proceedings of the 2nd Conference on Information Sciences, Wrightsville Beach, NC, 1995.
Hugh M Cartwright The genetic algorithm in science Pesticide Science, 1995, 45, 171-178.
Hugh M Cartwright Getting the timing right - the use of genetic algorithms in scheduling. pp 145-156 in Applications of Modern Heuristic Techniques , published by Alfred Waller (VJ Rayward-Smith, ed.) 1995.
Hugh M Cartwright and Jamie R Cattell Studies of continuous-flow chemical synthesis using genetic algorithms. pp 129-144 in Applications of Modern Heuristic Techniques, published by Alfred Waller (VJ Rayward-Smith, ed.), 1995.

Some Recent Talks

The cool and crazy chemistry show (with Dr Malcolm Stewart). 2008 Oxford University Christmas Lecture Series, December 11, 2008.

Virtual Steps into a Real World: Applications of Artificial Intelligence in Science Plenary Lecture given at Intelligent Systems and Control, ISC 2007, November 2007, Cambridge, Mass. U.S.A.

Instinctive Science - do Chips Beat brains? Chemistry Department, University of Victoria, Canada, September 2006.

How to engage science students using demonstrations. Presented at the Hands-on Science Conference, Braga, Portugal, September, 2006.

Who - or what - is the Teacher? How Artificial Intelligence will control Lifelong Learning. Presented at the International Workshop on Science Literacy and Lifelong Learning, Bucharest, May 2006.

Chemical Safety in the classroom - helping your students understand what it is all about Irish Science Teachers Association Annual Conference, Athlone, Ireland, March 2006. (pdf copy of presentation.)

"What is Artificial Intelligence? And why would a chemistry teacher need to know anyway? ChemdEd 2005, Vancouver, Canada, August 2005. (pdf copy of presentation.)

Chemical Safety in the classroom - helping your students understand what it is all about ChemdEd 2005, Vancouver, Canada, August 2005. (pdf copy of presentation.)

Internet-based experiments: Challenges and opportunities in science teaching ChemdEd 2005, Vancouver, Canada, August 2005. (pdf copy of presentation.)

Boring but vital - How should we teach our students about chemical safety? 2nd International Hands-on Science Conference, Crete, July 2005.

Internet-based Science Experiments. 9th Workshop on Multimedia in Physics Teaching and Learning, Graz, Austria, September 2004.

The Development of on-line Experiments. 1st International Conference on Hands-on Science, Ljubljana, Slovenia, July 2004.

"Neural Network Based Assessment of Materials for Chemical Protection Gloves." EUROCON 2003 (Computer as a Tool), Ljubljana, Slovenia, September 2003.

How To Avoid Optimising Molecular Geometry Invited talk presented at Molecular Geometry Optimization Workshop, Coimbra, Portugal, July 1-3, 2002. Abstract (pdf)

Updated April 29, 2009.