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Editorial Board breakfast meeting 22 nd March 2010, San Francisco, USA

Editorial Board breakfast meeting 22 nd March 2010, San Francisco, USA. Agenda. Review of 1 st year of Journal of Cheminformatics publication & acceptance rates, publication times, access reports Strategies for continued success and growing publications

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Editorial Board breakfast meeting 22 nd March 2010, San Francisco, USA

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  1. Editorial Board breakfast meeting 22nd March 2010, San Francisco, USA

  2. Agenda • Review of 1st year of Journal of Cheminformatics • publication & acceptance rates, publication times, access reports • Strategies for continued success and growing publications • activity, advocacy, invitation • thematics, supplements, reviews, commentaries • Agreement of activities, deliverables, responsibilities

  3. Editorial Board Editors-in-Chief David J. Wild Indiana University School of Informatics Christoph Steinbeck European Bioinformatics Institute Editorial Board John Barnard (Digital Chemistry) Michael R. Berthold (University of Konstanz) Jean-Claude Bradley (Drexel University) Curt Breneman (Rensselaer Polytechnic Inst.) Robert D. Clark (Biochemical Infometrics) Peter Ertl (Novartis) Jeremy Frey (University of Southampton) Johann Gasteiger (Univ. Erlangen-Nürnberg) Val Gillet (University of Sheffield) Robert Glen (University of Cambridge) Jonathan Goodman (University of Cambridge) Rajarshi Guha (Indiana University) Mic Lajiness (Eli Lilly & Co.) Yvonne Martin (Consultant) Peter Murray Rust (University of Cambridge) Alexander Tropsha (Univ. of North Carolina) John van Drie (Van Drie Research LLC) Martin Walker (State University of New York) Wendy Warr (Wendy Warr & Associates) Ian Watson (Eli Lilly & Co.) Peter Willett (University of Sheffield) Antony Williams (RSC ChemSpider)

  4. Acceptances & rejections March 2009 – March 2010

  5. Time to acceptance March 2009 – March 2010 No. of Papers Time to acceptance (days)

  6. Access report – Mar09 to Mar10

  7. Strategy for growth • Editorial Board activity and advocacy to build publications • Coordinate thematic issues and supplements in subject areas of interest • invited papers • in parallel with a symposium or conference • Compile or invite Reviews and Commentary papers

  8. Suggested subject areas • Overcoming stalled drug discovery • Green chemistry & global warming • Understanding life from a chemical perspective • Enabling the network of the world’s chemical and biological information to be accessible and interpretable • “The article of the future” • See: “Grand challenges for cheminformatics”, David Wild, Journal of Cheminformatics 2009, 1:1 (17 March 2009)

  9. Appendix 1 • Overcoming stalled drug discovery • After the impressive successes in drug discovery toward the end of the last century, productivity in the pharmaceutical industry has declined as expenses have gone up. Cheminformatics can help by enabling fast, cheap virtual experiments to prioritize real experiments. As more drug discovery research is carried out in academia, institutes and small companies, and solutions will require pieces from cheminformatics, bioinformatics and other disciplines, cheminformatics knowledge and tools should be made as widely available as possible.

  10. Appendix 2 • Green chemistry & global warming • Global warming and preserving the environment will be one of the biggest challenges for mankind this century. Fundamental to this will be finding chemicals which are less polluting or less toxic to the environment, or improving chemical use to minimize environmental impact (e.g. in petrochemicals). Cheminformatics already has much to offer through computational toxicology and predictive modeling.

  11. Appendix 3 • Understanding life from a chemical perspective • Chemicals are being found to be increasingly important in cellular functions, for example through small molecule modulators and epigenetics. This has led to fields such as chemical biology, and more recently systems chemistry and systems chemical biology, which seek to understand biological systems from a chemistry perspective. Integration of cheminformatics and bioinformatics methods will be key to this.

  12. Appendix 4 • Enabling the network of the world’s chemical & biological information to be accessible & interpretable • We have seen huge leaps forward in the provision of freely accessible chemical databases such as PubChem and ChemSpider. A wealth of information is buried in these databases as well as many other related sources. Increasingly, this information is linked to biological information (such as targets, genes, experiments) and scholarly or informal publications, which opens up huge possibilities for data mining. Cheminformatics could potentially make all of this information very useful.

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