WENDY ANNE WARR: Curriculum Vitae

Biography

Curriculum Vitae

Selected Publications


Wendy Warr & Associates,
6 Berwick Court, Holmes Chapel, Cheshire CW4 7HZ, England;
Tel/fax +44 (0)1477 533837;
wendy@warr.com
http://www.warr.com


EDUCATION

B.A. (Oxon.) Chemistry, Lady Margaret Hall, University of Oxford, England, 1967
M.A. (Oxon.) Chemistry, Lady Margaret Hall, University of Oxford, England, 1970
D. Phil. (Oxon.) Chemistry, Lady Margaret Hall, University of Oxford, England,1970


PROFESSIONAL QUALIFICATIONS

Chartered Chemist
Fellow of the Royal Society of Chemistry
Fellow the Chartered Institute of Library and Information Professionals

MEMBERSHIP IN PROFESSIONAL ORGANISATIONS

American Chemical Society 1985-
Active in ACS CINF and COMP - have attended 56 National ACS Meetings since 1977
American Society for Information Science and Technology 1986-
Royal Society of Chemistry, 1984-
Molecular Graphics and Modeling Society 1992-
Society of Chemical Industry 1994-
Institute of Information Scientists (later CILIP) 1984-
UK Online Users Group 1984-
Chemical Structure Association 1967-
Association of Information Officers in the Pharmaceutical Industry 1986-
ASLIB 1984-

CAREER HISTORY

January 1992- present, President, Wendy Warr & Associates

We specialize in cheminformatics, computational chemistry, and electronic publishing. We offer competitive intelligence and other consultancy services, attend conferences and write reports in these fields. Clients include pharmaceutical companies, management consultants, publishers, and software and database vendors.

1972-1992, ICI Pharmaceuticals

1986-1992, Manager, Information Services
1984-1986, Manager, Research Information
1979-1984, Senior Systems Analyst/Project Manager for Chemical Information
1976-1979, Senior Information Scientist and Systems Analyst
1972-1976, Information Scientist

1970-1972, Robinson Brothers Ltd., Research Chemist

1968-1970, University of Oxford, Part-time Research Assistant, Experimental Information Unit

OTHER INFORMATION

Associate Editor, J. Chem. Inf. Comput. Sci., 1989-
Editorial Advisory Board, J. Chem. Inf. Comput. Sci., 1987-1989
Canvassing Committee, ACS Award for Computers in Chemical and Pharmaceutical
Research, 2001-2003 (Chair in 2003)
ACS Committee on Copyrights, 1995-1999
Editorial Advisory Board, ACS Books, late 1980s
Advisory Board, ACS Software, late 1980s
ACS CINF Program Committee, 1987-1993
Royal Society/Royal Society of Chemistry Panel on Chemical Nomenclature, 1979-1989
Member, ICSU Committee on Dissemination of Scientific Information, 2003-
IUPAC Committee on Publications, 1993-1997
Chair, IUPAC Committee on Printed and Electronic Publications, 1998-2003
Member UK Delegation to IUPAC 2003-
Publications Committee, Society of Chemical Industry, 1993-2001
Steering Committee Member, MDL Software Users Group, USA 1982-1993
Chair, MDL Software Users Group, Europe, 1981-1986
On scientific advisory board for many international conferences,
e.g., Noordwijkerhout International Conference on Chemical Structures, Infonortics International Chemical Information Conference
Trustee, Chemical Structure Association Trust, 1989-
Member, Scientific Advisory Board, Molecular Networks GmbH
Visiting lecturer, Department of Information Studies, University of Sheffield
Visiting lecturer and external examiner at various other universities
Member, Lead Body, National Vocational Qualifications, LIS, 1994-1996
List of selected publications attached
Numerous other articles, and lectures (USA, Europe, Japan, Australia)


SELECTED PUBLICATIONS

  1. Warr, W. Fragment-based drug discovery. J. Comput.-Aided Mol. Des. 2009, 23, 453-458.

  2. Warr, W. A. The IUPAC International Chemical Identifier. (January 2009) http://www.qsarworld.com/INCHI1.php.

  3. Warr, W. A. Cheminformatics education. (November 2008) http://www.qsarworld.com/cheminformatics-education.php.

  4. Warr, W. A.. Social Software: Fun and Games or Business Tools? J. Inf. Sci. 2008, 34(4) , 591-604.

  5. Warr, W. A. Workflow and pipelining in cheminformatics. (December 2007) http://www.qsarworld.com/qsar-workflow1.php.

  6. Warr, W. A. Accuracy of prediction. (September 2007) http://www.qsarworld.com/qsar-predictivity1.php.

  7. Warr, W. A. High Throughput Chemistry. In Handbook of Chemoinformatics - From Data to Knowledge; Gasteiger, J. Ed.; Wiley-VCH: Weinheim 2003, Vol. 4, pp. 1604-1639.

  8. Warr, W. A. Evaluation of an Experimental Chemistry Preprint Server. J. Chem. Inf. Comput. Sci. 2003, 43, 362-373.

  9. From Virtual Communities to Portals in the Post-Dotcom Era. In Proceedings of the 2002 International Chemical Information Conference; Collier, H., Ed.; Infonortics: Tetbury, 2002, pp. 113-126.

  10. Warr, W.A. Science Portals on the Internet Chimica Oggi 2002, 1/2, 9-13.

  11. Warr, W.A. E-Commerce In Chemicals: Revolution Or Evolution? Chimica Oggi 2000, 6, 9-11.

  12. Warr, W. A. E-Commerce In Chemicals: The Third Generation. In Proceedings of the 2000 International Chemical Information Conference; Collier, H., Ed.; Infonortics: Tetbury, 2000, pp. 5-15.

  13. Warr. W. A. Combinatorial Chemistry. In The Encyclopedia of Computational Chemistry; Schleyer, P. v. R.; Allinger, N. L.; Clark, T.; Gasteiger, J.; Kollman, P. A.; Schaefer III, H. F.; Schreiner, P. R. (Eds.); John Wiley & Sons: Chichester, 1998, Vol. 1, pp. 401-417.

  14. Warr, W. A. An Overview of Developing Virtual Communities in Chemistry. Proceedings of the 1998 International Chemical Information Conference; Collier, H., Ed.; Infonortics: Tetbury, 1998, pp. 35-61.

  15. Warr, W. A. Communication and Communities of Chemists. J. Chem. Inf. Comput. Sci. 1998, 38, 966-975.

  16. Warr, W. A.; Wollny B. Current Facts in Chemistry on CD-ROM. In The Beilstein System: Strategies for Effective Searching; Heller, S. R., Ed.; American Chemical Society: Washington, D. C., 1998, pp. 47-53.

  17. Warr, W. A. The Use of The Beilstein System in the Chemical and Pharmaceutical Industries. In The Beilstein System: Strategies for Effective Searching; Heller, S. R., Ed.; American Chemical Society: Washington, D. C., 1998, 149-160.

  18. Warr, W. A.; Willett, P. The Principles and Practice of 3D Database Searching. In Designing Bioactive Molecules. Three-Dimensional Techniques and Applications; Willett, P.; Martin, Y., Eds; American Chemical Society: Washington D.C., 1997.

  19. Warr, W. A. Commercial Software Systems for Diversity Analysis. Perspectives in Drug Discovery and Design, 1997, 7/8, 115-130.

  20. Warr, W. A. Combinatorial Chemistry and Molecular Diversity. An Overview. J. Chem. Inf. Comput. Sci. 1997, |37, 134-140.

  21. Warr, W. A. More Chemistry on CD-ROM. DATABASE 1995, 18(1) , 60-64.

  22. Warr, W. A. Chemical Structure Handling on CD-ROM: Recent Developments and Future Prospects. In Proceedings of the 18th International Online Information Meeting; Learned Information: Oxford, 1994, pp. 131-137.

  23. Warr, W. A. Chemically Intelligent CD-ROMs: Beyond Names and Images. In Proceedings of the 1994 International Chemical Information Conference; Collier, H., Ed.; Infonortics: Calne, 1994, pp. 149-166.

  24. Warr, W.A. Drugs and Chemical Reactions on CD-ROM. DATABASE 1994, 17(3), 56-63.

  25. Oppenheim, C.; Warr, W. A. The 3D Chemical Structure Database as Intellectual Property. Chemical Design Automation News 1994, 9(4), 10-17.

  26. Warr, W.A. Computer-assisted Structure Elucidation. Part 1. Library Search and Spectral Data Collections. Anal. Chem. 1993, 65, 1045A-1050A.

  27. Warr, W.A. Computer-assisted Structure Elucidation. Part 2. Indirect Database Approaches and Established Systems. Anal. Chem. 1993, 65, 1087A-1095A.

  28. Warr, W.A. A Review Of Spectral Database Systems Used In Computer-Assisted Structure Elucidation. Perspectives in Information Management 1993, 3(2) , 95-118.

  29. Warr, W.A. The Joy of Structures. In Secrets of the Supersearchers; Basch, R., Ed.; Online: Wilton, CT, 1993.

  30. Warr, W.A. Spectral Databases: A Review. Anal. Proc. 1993, 30, 200- 201.

  31. Warr, W.A. New Chemical Databases on CD-ROM. DATABASE 1993, 16(1) , 59-67.

  32. Chemical Structures 2; Warr, W.A., Ed.; Springer-Verlag: Berlin, 1993.

  33. Warr, W.A. Spectral Databases. In Chemometrics Tutorials II. Collected from Chemometrics and Intelligent Laboratory Systems - An International Journal, Volumes 6-11; Elsevier: Amsterdam, 1992, pp. 25-38. (Reproduced from Reference 18).

  34. Warr, W. A. Spectral Database Systems: a Comparison. In Recent Advances in Chemical Information II; Collier, H., Ed.; Royal Society of Chemistry: Cambridge, 1993, pp. 235-246.

  35. Warr,W.A. After the Fat Man Jumped: The Saga of Robert Maxwell. ONLINE 1992, 16(6), 62-67.

  36. Suhr, C.; Warr, W.A. Chemical Information Management; VCH: Weinheim, 1992.

  37. Directory of Chemical Structure Software; Downs, G.; Warr, W.A.; Willett, P., Eds; Cherwell Scientific Publishing: Oxford, 1992.

  38. Warr, W.A.; Wilkins, M.P. Front-End Software for Chemical Structure Searching: a State-of-the-art Review. ONLINE 1992, 16(1) , 48-55.

  39. Warr, W.A. Integrating the Information and the End-user. In Text Retrieval: Information First; Gillman, P., Ed.; Taylor Graham: London, 1991, pp. 3-15.

  40. Chemical Structure Systems; Ash, J.E.; Warr, W.A.; Willett, P., Eds; Ellis Horwood: Chichester, 1991.

  41. Warr, W.A. Systems for Chemical Structure Handling. In Chemical Structure Systems; Ash, J.E.; Warr, W.A.; Willett, P., Eds; Ellis Horwood: Chichester, 1991, pp. 88-125.

  42. Ash, J.E.; Warr, W.A. Chemical Databanks. In Chemical Structure Systems; Ash, J.E.; Warr, W.A.; Willett, P., Eds; Ellis Horwood: Chichester, 1991, pp. 154-191.

  43. Warr, W.A. Spectral Databases. Chemom. Intell. Lab. Syst. 1991, 10, 279-292.

  44. Warr, W.A. Some Observations on Piecemeal Electronic Publishing Solutions in the Pharmaceutical Industry. J. Chem. Inf. Comput. Sci. 1991, 31, 181-186.

  45. Warr, W.A. Information and Documentation. Chapters 1-5 and 7-11 in Ullmann's Encyclopedia of Industrial Chemistry; Vol. B1; VCH: Weinheim, 1991, pp. 12.1 - 12.119.

  46. Warr, W.A.; Wilkins, M.P. Graphics Front Ends for Chemical Searching and a Look at Chemtalk Plus. ONLINE 1990, 14(3) , 50-54.

  47. Chemical Structure Information Systems: Interfaces, Communication, and Standards; Warr, W.A., Ed.; ACS Symposium Series 400; American Chemical Society: Washington D. C., 1989.

  48. Warr, W.A.; Haygarth Jackson, A.R. End-user Searching of CAS ONLINE. Results of a Cooperative Experiment Between Imperial Chemical Industries and Chemical Abstracts Service. J. Chem. Inf. Comput. Sci. 1988, 28, 68-72.

  49. Chemical Structure Software for Personal Computers; Meyer, D.E.; Warr, W.A.; Love, R.A., Eds; American Chemical Society: Washington D.C., 1988.

  50. Chemical Structures: The International Language of Chemistry; Warr, W.A., Ed.; Springer-Verlag: Berlin, 1988.

  51. Warr, W.A. Online Access to Chemical Information: A Review. DATABASE 1987, 10(3), 122-128.

  52. Graphics for Chemical Structures: Integration with Text and Data; Warr, W.A., Ed.; ACS Symposium Series 341; American Chemical Society: Washington D.C., 1987.

  53. Adamson, G.W.; Bird, J.M.; Palmer, G.; Warr, W.A. In-House Chemical Databases at Imperial Chemical Industries. J. Mol. Graphics 1986, 4(3) , 165-169.

  54. Warr, W.A. Conference Overview and Closing Remarks. In Modern Approaches to Chemical Reaction Searching; Willett, P., Ed.; Gower: Aldershot, 1986, pp. 257-262.

  55. Warr, W.A.; et al. Chapter 6 in Communication, Storage and Retrieval of Chemical Information; Ash, J.E.; Ward, S.E.; Welford, S.; Willett, P., Eds; Ellis Horwood: Chichester 1985, pp. 157-181.

  56. Adamson, G.W.; Bird, J.M.; Palmer, G.; Warr, W.A Use of MACCS within ICI. J. Chem. Inf. Comput. Sci. 1985, 25, 90-92.

  57. Warr, W.A. MACCS - An ICI View. Proceedings of the 7th International Online Information Meeting; Learned Information: Oxford, 1983, pp. 91-93.

  58. Warr, W.A. Available Systems of Structure Representation. In Chemical Nomenclature Usage; Lees, R.; Smith, A., Eds; Ellis Horwood: Chichester, 1983, pp. 124-131.

  59. Warr, W.A. Diverse Uses and Future Prospects for Wiswesser Line-Formula Notation. J. Chem. Inf. Comput. Sci. 1982, 22, 98-101.

  60. Warr, W.A. ICI's Experiences with CROSSBOW. Proceedings of the 5th International Online Information Meeting; Learned Information: Oxford, 1981, pp. 391-395.

  61. Warr, W.A. The Concept of Notation-Based Searching and its Limitations. Proceedings of the CNA(UK) Seminar on Chemical Structure Searching of the Published Literature; Chemical Notation Association, 1980, pp. 165-180.

  62. Warr, W.A. "Integrated Databases for Chemical Systems - The Use of External Files". Proceedings of the CNA(UK) Seminar on Integrated Databases for Chemical Systems; Chemical Notation Association, 1979, pp. 103-113.

  63. Warr, W.A. Interactive Access to the ICI Pharmaceuticals Division Integrated Database. Proceedings of the CNA(UK) Seminar on Integrated Databases for Chemical Systems; Chemical Notation Association, 1979, pp. 74-87.

  64. Townsley, E.E.; Warr, W.A. Chemical and Biological Data - an Integrated Online Approach. In Retrieval of Medicinal Chemical Information; Howe, W.J.; Milne, M.M.; Pennell, A.F., Eds; ACS Symposium Series 84; American Chemical Society: Washington, D.C., 1978, pp. 73-84.

  65. Eakin, D.R.; Warr, W.A. Computerized Aids to Organic Synthesis in a Pharmaceutical Research Company. In Computer-Assisted Organic Synthesis; Wipke, W.T.; Howe, W.J., Eds; ACS Symposium Series 61; American Chemical Society: Washington, D.C., 1977, pp. 217-226.

  66. Bailey, A.S.; Buckley, A.J.; Warr, W.A.; Wedgwood, J.J. The Reactions of Arenesulphonyl Azides with Indole and with 1-Methylindole. J. Chem Soc. Perkin I 1972, 2411-2415.

  67. Bailey, A.S.; Buckley, A.J.; Warr, W.A. Reactions of Some 1,3-Disubstituted Indoles and of 3-Methylindole with Arylsulphonyl Azides. J. Chem. Soc. Perkin I 1972, 1626-1629.

  68. Bailey, A.S.; Scattergood, R,; Warr, W.A. Reactions of Arenesulphonyl Azides with Some Di- and Tri-substituted Indoles. J. Chem. Soc. (C) 1971, 3769-3778.

  69. Bailey, A.S,; Scattergood, R.; Warr, W.A. The Reactions of Toluene-p-sulphonyl Azide with 2,3-Dimethylindole, 1,2,3-Trimethylindole, Tetrahydrocarbazole and 9-Methyltetrahydrocarbozole. J. Chem. Soc (C) 1971, 2479-2491.

  70. Bailey, A.S.; Scattergood, R.; Warr, W.A.; Cameron, T.S.; Prout, C.K.; Tickle, I. The Reactions of p-Toluenesulphonyl Azide with Substituted Indoles. Tetrahedron Lett. 1970, 34, 2979-2982.

  71. Bailey, A.S.; Warr, W.A.; Allison, G.B.; Prout, C.K. Reaction of Picryl Azide with N-Methylindole. The Crystal Structure of 1-Methyl-2-Picryliminoindoline. J. Chem. Soc. (C) 1970, 956-964.

This page last updated 24th November 2009.