Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

Recently, a number of organisations have called for open access to scientific information and especially to the data obtained from publicly funded research, among which the Royal Society report and the European Commission press release are particularly notable. It has long been accepted that building research on the foundations laid by other scientists is both effective and efficient. Regrettably, some disciplines, chemistry being one, have been slow to recognise the value of sharing and have thus been reluctant to curate their data and information in preparation for exchanging it. The very significant increases in both the volume and the complexity of the datasets produced has encouraged the expansion of e-Research, and stimulated the development of methodologies for managing, organising, and analysing "big data". We review the evolution of cheminformatics, the amalgam of chemistry, computer science, and information technology, and assess the wider e-Science and e-Research perspective. Chemical information does matter, as do matters of communicating data and collaborating with data. For chemistry, unique identifiers, structure representations, and property descriptors are essential to the activities of sharing and exchange. Open science entails the sharing of more than mere facts: for example, the publication of negative outcomes can facilitate better understanding of which synthetic routes to choose, an aspiration of the Dial-a-Molecule Grand Challenge. The protagonists of open notebook science go even further and exchange their thoughts and plans. We consider the concepts of preservation, curation, provenance, discovery, and access in the context of the research lifecycle, and then focus on the role of metadata, particularly the ontologies on which the emerging chemical Semantic Web will depend. Among our conclusions, we present our choice of the "grand challenges" for the preservation and sharing of chemical information

Keeping Research Data Safe 2: Final Report

The first Keeping Research Data Safe study funded by JISC made a major contribution to understanding of long-term preservation costs for research data by developing a cost model and indentifying cost variables for preserving research data in UK universities (Beagrie et al, 2008). However it was completed over a very constrained timescale of four months with little opportunity to follow up other major issues or sources of preservation cost information it identified. It noted that digital preservation costs are notoriously difficult to address in part because of the absence of good case studies and longitudinal information for digital preservation costs or cost variables. In January 2009 JISC issued an ITT for a study on the identification of long-lived digital datasets for the purposes of cost analysis. The aim of this work was to provide a larger body of material and evidence against which existing and future data preservation cost modelling exercises could be tested and validated. The proposal for the KRDS2 study was submitted in response by a consortium consisting of 4 partners involved in the original Keeping Research Data Safe study (Universities of Cambridge and Southampton, Charles Beagrie Ltd, and OCLC Research) and 4 new partners with significant data collections and interests in preservation costs (Archaeology Data Service, University of London Computer Centre, University of Oxford, and the UK Data Archive). A range of supplementary materials in support of this main report have been made available on the KRDS2 project website at http://www.beagrie.com/jisc.php. That website will be maintained and continuously updated with future work as a resource for KRDS users

Development of a pilot data management infrastructure for biomedical researchers at University of Manchester – approach, findings, challenges and outlook of the MaDAM Project

Management and curation of digital data has been becoming ever more important in a higher education and research environment characterised by large and complex data, demand for more interdisciplinary and collaborative work, extended funder requirements and use of e-infrastructures to facilitate new research methods and paradigms. This paper presents the approach, technical infrastructure, findings, challenges and outlook (including future development within the successor project, MiSS) of the ‘MaDAM: Pilot data management infrastructure for biomedical researchers at University of Manchester’ project funded under the infrastructure strand of the JISC Managing Research Data (JISCMRD) programme. MaDAM developed a pilot research data management solution at the University of Manchester based on biomedical researchers’ requirements, which includes technical and governance components with the flexibility to meet future needs across multiple research groups and disciplines

Research Objects: Towards Exchange and Reuse of Digital Knowledge

What will researchers be publishing in the future? Whilst there is little question that the Web will be the publication platform, as scholars move away from paper towards digital content, there is a need for mechanisms that support the production of self-contained units of knowledge and facilitate the publication, sharing and reuse of such entities.

 In this paper we discuss the notion of _research objects_, semantically rich aggregations of resources, that can possess some scientific intent or support some research objective. We present a number of principles that we expect such objects and their associated services to follow

Research Objects: Towards Exchange and Reuse of Digital Knowledge

What will researchers be publishing in the future? Whilst there is little question that the Web will be the publication platform, as scholars move away from paper towards digital content, there is a need for mechanisms that support the production of self-contained units of knowledge and facilitate the publication, sharing and reuse of such entities. In this paper we discuss the notion of research objects, semantically rich aggregations of resources, that possess some scientifi?c intent or support some research objective. We present a number of principles that we expect such objects and their associated services to follow

Dissertations and Data: keynote address

International audienceThe keynote provides an overview on the field of research data produced by PhD students, in the context of open science, open access to research results, e-Science and the handling of electronic theses and dissertations. The keynote includes recent empirical results and recommendations for good practice and further research. In particular, the paper is based on an assessment of 864 print and electronic dissertations in sciences, social sciences and humanities from the Universities of Lille (France) and Ljubljana (Slovenia), submitted between 1987 and 2015, and on a survey on data management with 270 scientists in social sciences and humanities of the University of Lille 3.The keynote starts with an introduction into data-driven science, data life cycle and data publishing. It then moves on to research data management by PhD students, their practice, their needs and their willingness to disseminate and share their data. After this qualitative analysis of information behaviour, we present the results of a quantitative assessment of research data produced and submitted with dissertations Special attention is paid to the size of the research data in appendices, to their presentation and link to the text, to their sources and typology, and to their potential for further research. The discussion puts the focus on legal aspects (database protection, intellectual property, privacy, third-party rights) and other barriers to data sharing, reuse and dissemination through open access.Another part adds insight into the potential handling of these data, in the framework of the French and Slovenian dissertation infrastructures. What could be done to valorise these data in a centralized system for electronic theses and dissertations (ETDs)? The topics are formats, metadata (including attribution of unique identifiers), submission/deposit, long-term preservation and dissemination. This part will also draw on experiences from other campuses and make use of results from surveys on data management at the Universities of Berlin and Lille.The conclusion provides some recommendations for the assistance and advice to PhD students in managing and depositing their research data, and also for further research.Our study will be helpful for academic libraries to develop assistance and advice for PhD students in managing their research data, in collaboration with the research structures and the graduate schools. Moreover, it should be helpful to prepare and select research data for long-term preservation, curate research data in open repositories and design data repositories.The French part of paper is part of an ongoing research project at the University of Lille 3 (France) in the field of digital humanities and research data, conducted with scientists and academic librarians. Its preliminary results have been presented at a conference on research data in February 2015 at Lille, at the 8th Conference on Grey Literature and Repositories at Prague in October 2015 and published in the Journal of Librarianship and Scholarly Communication. The Slovenian research results have not been published before

The LIFE2 final project report

Executive summary: The first phase of LIFE (Lifecycle Information For E-Literature) made a major contribution to understanding the long-term costs of digital preservation; an essential step in helping institutions plan for the future. The LIFE work models the digital lifecycle and calculates the costs of preserving digital information for future years. Organisations can apply this process in order to understand costs and plan effectively for the preservation of their digital collections The second phase of the LIFE Project, LIFE2, has refined the LIFE Model adding three new exemplar Case Studies to further build upon LIFE1. LIFE2 is an 18-month JISC-funded project between UCL (University College London) and The British Library (BL), supported by the LIBER Access and Preservation Divisions. LIFE2 began in March 2007, and completed in August 2008. The LIFE approach has been validated by a full independent economic review and has successfully produced an updated lifecycle costing model (LIFE Model v2) and digital preservation costing model (GPM v1.1). The LIFE Model has been tested with three further Case Studies including institutional repositories (SHERPA-LEAP), digital preservation services (SHERPA DP) and a comparison of analogue and digital collections (British Library Newspapers). These Case Studies were useful for scenario building and have fed back into both the LIFE Model and the LIFE Methodology. The experiences of implementing the Case Studies indicated that enhancements made to the LIFE Methodology, Model and associated tools have simplified the costing process. Mapping a specific lifecycle to the LIFE Model isn’t always a straightforward process. The revised and more detailed Model has reduced ambiguity. The costing templates, which were refined throughout the process of developing the Case Studies, ensure clear articulation of both working and cost figures, and facilitate comparative analysis between different lifecycles. The LIFE work has been successfully disseminated throughout the digital preservation and HE communities. Early adopters of the work include the Royal Danish Library, State Archives and the State and University Library, Denmark as well as the LIFE2 Project partners. Furthermore, interest in the LIFE work has not been limited to these sectors, with interest in LIFE expressed by local government, records offices, and private industry. LIFE has also provided input into the LC-JISC Blue Ribbon Task Force on the Economic Sustainability of Digital Preservation. Moving forward our ability to cost the digital preservation lifecycle will require further investment in costing tools and models. Developments in estimative models will be needed to support planning activities, both at a collection management level and at a later preservation planning level once a collection has been acquired. In order to support these developments a greater volume of raw cost data will be required to inform and test new cost models. This volume of data cannot be supported via the Case Study approach, and the LIFE team would suggest that a software tool would provide the volume of costing data necessary to provide a truly accurate predictive model