Academic librarians at play in the field of cheminformatics: building the case for chemistry research data management

There are compelling needs from a variety of camps for more chemistry data to be available. While there are funder and government mandates for depositing research data in the United States and Europe, this does not mean it will be done well or expediently. Chemists themselves do not appear overly engaged at this stage and chemistry librarians who work directly with chemists and their local information environments are interested in helping with this challenge. Our unique understanding of organizing data and information enables us to contribute to building necessary infrastructure and establishing standards and best practices across the full research data cycle. As not many support structures focused on chemistry currently exist, we are initiating explorations through a few case studies and focused pilot projects presented here, with an aim of identifying opportunities for increased collaboration among chemists, chemistry librarians, cheminformaticians and other chemistry professionals.

[1]  Karen R McElfresh,et al.  Development of the research lifecycle model for library services. , 2013, Journal of the Medical Library Association : JMLA.

[2]  C. Tenopir,et al.  Data Sharing by Scientists: Practices and Perceptions , 2011, PloS one.

[3]  Ricky Erway,et al.  Starting the Conversation: University-Wide Research Data Management Policy. , 2013 .

[4]  Jyllian Kemsley Mentoring For Safety , 2015 .

[5]  Patricia A Iannuzzi Information Literacy Competency Standards for Higher Education , 2000 .

[6]  David W. Weisgerber Chemical Abstracts Service Chemical Registry System: History, Scope, and Impact , 1997, J. Am. Soc. Inf. Sci..

[7]  Steve Kelling,et al.  Participatory design of DataONE - Enabling cyberinfrastructure for the biological and environmental sciences , 2012, Ecol. Informatics.

[8]  Communicating chemistry. , 2009, Nature chemistry.

[9]  Jonathan Brecher Graphical representation standards for chemical structure diagrams (IUPAC Recommendations 2008) , 2008 .

[10]  S. Leung,et al.  Scale-up of Azide Chemistry: A Case Study , 2012 .

[11]  Wendy A Warr,et al.  Some Trends in Chem(o)informatics. , 2011, Methods in molecular biology.

[12]  Jeremy G Frey,et al.  Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences. , 2013, Chemical Society reviews.

[13]  Jeremy G. Frey,et al.  First steps towards semantic descriptions of electronic laboratory notebook records , 2013, Journal of Cheminformatics.

[14]  Suzie Allard,et al.  Academic librarians and research data services: preparation and attitudes , 2013 .

[15]  Kazuhiro Saitou,et al.  Tunable Machine Vision-Based Strategy for Automated Annotation of Chemical Databases , 2009, J. Chem. Inf. Model..

[16]  L. Tschirhart,et al.  Preparing To Support Research Data Sharing , 2012 .

[17]  Peter Willett,et al.  From chemical documentation to chemoinformatics: 50 years of chemical information science , 2008, J. Inf. Sci..

[18]  Joyce M. Ray,et al.  Research Data Management: Practical Strategies for Information Professionals , 2014 .

[19]  Paul Meehan,et al.  CrossFire: a structural revolution for chemists , 2001, Online Inf. Rev..

[20]  Bertram Ludäscher,et al.  Scientific Workflows and Provenance: Introduction and Research Opportunities , 2012, Datenbank-Spektrum.

[21]  D. P. Martinsen,et al.  Supplemental Journal Article Materials , 2012 .

[22]  G. Lunn,et al.  Laboratory Safety , 2002, Current protocols in protein science.

[23]  Luca Toldo,et al.  Challenges in mining the literature for chemical information , 2013 .

[24]  Dana L. Roth,et al.  Chemical Information for Chemists , 2013 .

[25]  L. Bretherick,et al.  Bretherick's Handbook of Reactive Chemical Hazards , 1990 .

[26]  Jürgen Bajorath,et al.  Chemoinformatics and Computational Chemical Biology , 2011, Methods in Molecular Biology.

[27]  Peter Murray-Rust,et al.  Chemical documents: machine understanding and automated information extraction. , 2004, Organic & biomolecular chemistry.

[28]  C. Senanayake,et al.  Practical Synthesis of Di-tert-Butyl-Phosphinoferrocene , 2014 .

[29]  Rebecca T. Ruck,et al.  Merck’s Reaction Review Policy: An Exercise in Process Safety , 2013 .

[30]  Ralph Stuart,et al.  Learning opportunities in three years of hazmat headlines , 2014 .

[31]  Rosa García Couto Globally Harmonized System of Classification and Labelling of Chemicals (GHS) , 2009 .

[32]  Dana L. Roth,et al.  Chemical information for chemists : a primer , 2014 .

[33]  Robert H. Hill,et al.  Laboratory Safety for Chemistry Students , 2010 .