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Published:
- Warr, W. A. From the Era of Print to the Reality of Electronic Publishing Chem. Int. 2023, 45 (4), 2-5.
- Warr, W. A.; Nicklaus, M. C.; Nicolaou, C. A.; Rarey, M. Exploration of ultralarge compound collections for drug discovery. J. Chem. Inf. Model. 2022, 62 (9), 2021-2034.
- Warr, W. A. National Institutes of Health (NIH) Workshop on Reaction Informatics. https://chemrxiv.org/engage/chemrxiv/article-details/611cf1a6ac8b499b36458d19 (accessed November 7, 2021).
- Warr, W. A. Report on an NIH Workshop on Ultralarge Chemistry Databases. https://chemrxiv.org/engage/chemrxiv/article-details/60c75883bdbb89984ea3ada5 (accessed August 2, 2021).
- Warr, W. A. A CADD-alog of strategies in pharma. J. Comput.-Aided Mol. Des. 2017, 31(3), 245-247.
- Warr, W. A. Blowing a breath of fresh share on data. J. Comput.-Aided Mol. Des. 2016, 30(12), 1143-1147.
- Warr, W. A. MOOCers and shakers and chemistry course takers. J. Comput.-Aided Mol. Des. 2016, 30(4), 281-284
- Warr, W. A. Many InChIs and quite some feat. J. Comput.-Aided Mol. Des. 2015, 29(8), 681-694.
- Warr, W. A. App-etite for change. J. Comput.-Aided Mol. Des. 2015, 29, 297-303.
- Warr, W. A. Data sharing as an issue. J. Comput.-Aided Mol. Des. 2014, 28, 973-974.
- Warr, W. A. A Short Review of Chemical Reaction Database Systems, Computer-Aided Synthesis Design, Reaction Prediction and Synthetic Feasibility. Mol. Inf. 2014, 33 (6-7), 469-476.
- Warr, W. A. Data sharing matters. J. Comput.-Aided Mol. Des. 2014, 28, 1-4.
- Warr, W. A. Scientific workflow systems: Pipeline Pilot and KNIME. J. Comput.-Aided Mol. Des. 2012, 26, 801-804. (On open access http://link.springer.com/article/10.1007/s10822-012-9577-7/fulltext.html)
- Warr, W. A. Representation of chemical structures. Wiley Interdiscip. Rev.: Comput. Mol. Sci. 2011, 1(4), 557-579.
- Warr, W. A. Some Trends in Chem(o)informatics. In Chemoinformatics and Computational Chemical Biology; Bajorath, J. Ed.; Humana Press (Springer): New York, 2010, pp. 1-37.
- Warr. W. A. Tautomerism in chemical information management systems. J. Comput.-Aided Mol. Des. 2010, 24, 497-520.
- Warr, W. Fragment-based drug discovery. J. Comput.-Aided Mol. Des. 2009, 23, 453-458.
- Warr, W. A. The IUPAC International Chemical Identifier. (Written for QSAR World January 2009) (PDF)
- Warr, W. A. Cheminformatics education. (Written for QSAR World November 2008) (PDF)
- Warr, W. A.. Social Software: Fun and Games or Business Tools? J. Inf. Sci. 2008, 34(4) , 591-604.
- Warr, W. A. Workflow and pipelining in cheminformatics. (Written for QSAR World April 2007). (PDF)
- Warr, W. A. Accuracy of prediction. (Written for QSAR World September 2007). (PDF)
- 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.
- Warr, W. A. Evaluation of an Experimental Chemistry Preprint Server. J. Chem. Inf. Comput. Sci. 2003, 43, 362-373.
- 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.
- Warr, W.A. Science Portals on the Internet Chimica Oggi 2002, 1/2, 9-13.
- Warr, W.A. E-Commerce In Chemicals: Revolution Or Evolution? Chimica Oggi 2000, 6, 9-11.
- 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.
- 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.
- 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.
- Warr, W. A. Communication and Communities of Chemists. J. Chem. Inf. Comput. Sci. 1998, 38, 966-975.
- 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.
- 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.
- 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.
- Warr, W. A. Commercial Software Systems for Diversity Analysis. Perspectives in Drug Discovery and Design, 1997, 7/8, 115-130.
- Warr, W. A. Combinatorial Chemistry and Molecular Diversity. An Overview. J. Chem. Inf. Comput. Sci. 1997, |37, 134-140.
- Warr, W. A. More Chemistry on CD-ROM. DATABASE 1995, 18(1) , 60-64.
- 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.
- 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.
- Warr, W.A. Drugs and Chemical Reactions on CD-ROM. DATABASE 1994, 17(3), 56-63.
- Oppenheim, C.; Warr, W. A. The 3D Chemical Structure Database as Intellectual Property. Chemical Design Automation News 1994, 9(4), 10-17.
- Warr, W.A. Computer-assisted Structure Elucidation. Part 1. Library Search and Spectral Data Collections. Anal. Chem. 1993, 65, 1045A-1050A.
- Warr, W.A. Computer-assisted Structure Elucidation. Part 2. Indirect Database Approaches and Established Systems. Anal. Chem. 1993, 65, 1087A-1095A.
- Warr, W.A. A Review Of Spectral Database Systems Used In Computer-Assisted Structure Elucidation. Perspectives in Information Management 1993, 3(2) , 95-118.
- Warr, W.A. The Joy of Structures. In Secrets of the Supersearchers; Basch, R., Ed.; Online: Wilton, CT, 1993.
- Warr, W.A. Spectral Databases: A Review. Anal. Proc. 1993, 30, 200- 201.
- Warr, W.A. New Chemical Databases on CD-ROM. DATABASE 1993, 16(1) , 59-67.
- Chemical Structures 2; Warr, W.A., Ed.; Springer-Verlag: Berlin, 1993.
- 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).
- 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.
- Warr,W.A. After the Fat Man Jumped: The Saga of Robert Maxwell. ONLINE 1992, 16(6), 62-67.
- Suhr, C.; Warr, W.A. Chemical Information Management; VCH: Weinheim, 1992.
- Directory of Chemical Structure Software; Downs, G.; Warr, W.A.; Willett, P., Eds; Cherwell Scientific Publishing: Oxford, 1992.
- 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.
- 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.
- Chemical Structure Systems; Ash, J.E.; Warr, W.A.; Willett, P., Eds; Ellis Horwood: Chichester, 1991.
- 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.
- 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.
- Warr, W.A. Spectral Databases. Chemom. Intell. Lab. Syst. 1991, 10, 279-292.
- Warr, W.A. Some Observations on Piecemeal Electronic Publishing Solutions in the Pharmaceutical Industry. J. Chem. Inf. Comput. Sci. 1991, 31, 181-186.
- 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.
- Warr, W.A.; Wilkins, M.P. Graphics Front Ends for Chemical Searching and a Look at Chemtalk Plus. ONLINE 1990, 14(3) , 50-54.
- Chemical Structure Information Systems: Interfaces, Communication, and Standards; Warr, W.A., Ed.; ACS Symposium Series 400; American Chemical Society: Washington D. C., 1989.
- 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.
- Chemical Structure Software for Personal Computers; Meyer, D.E.; Warr, W.A.; Love, R.A., Eds; American Chemical Society: Washington D.C., 1988.
- Chemical Structures: The International Language of Chemistry; Warr, W.A., Ed.; Springer-Verlag: Berlin, 1988.
- Warr, W.A. Online Access to Chemical Information: A Review. DATABASE 1987, 10(3), 122-128.
- Graphics for Chemical Structures: Integration with Text and Data; Warr, W.A., Ed.; ACS Symposium Series 341; American Chemical Society: Washington D.C., 1987.
- 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.
- Warr, W.A. Conference Overview and Closing Remarks. In Modern Approaches to Chemical Reaction Searching; Willett, P., Ed.; Gower: Aldershot, 1986, pp. 257-262.
- 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.
- 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.
- Warr, W.A. MACCS - An ICI View. Proceedings of the 7th International Online Information Meeting; Learned Information: Oxford, 1983, pp. 91-93.
- Warr, W.A. Available Systems of Structure Representation. In Chemical Nomenclature Usage; Lees, R.; Smith, A., Eds; Ellis Horwood: Chichester, 1983, pp. 124-131.
- Warr, W.A. Diverse Uses and Future Prospects for Wiswesser Line-Formula Notation. J. Chem. Inf. Comput. Sci. 1982, 22, 98-101.
- Warr, W.A. ICI's Experiences with CROSSBOW. Proceedings of the 5th International Online Information Meeting; Learned Information: Oxford, 1981, pp. 391-395.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
- 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.
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