Sustaining access to research data through value-added services and software Ian Bruno, Suzanna Ward The Cambridge Crystallographic Data Centre @ijbruno @ccdc_cambridge SciDataCon 2016: Sustainable Business Models for Data Repositories, 13 September 2016 www.ccdc.cam.ac.uk

The Cambridge Structural Database 850,000+ small-molecule crystal structures Over 60,000 datasets deposited annually Enriched and annotated by experts Structures available for anyone to download Links to over 1,000 journals Access to data and knowledge

The Cambridge Crystallographic Data Centre Employer of ~60 staff Scientific editors Software developers Applications scientists Cambridge UK Piscataway NJ • Seattle WA UK Registered Charity since 1987 Financially self-supporting, not-for-profit No direct dependency on public funding International Data Repository Archive of crystal structure data High quality scientific database Scientific Software Provider Search/analysis/visualisation tools Scientific applications and APIs Collaborative Research Organisation New methodologies Fundamental research Dedicated to the advancement of chemistry and crystallography for the public benefit through providing high quality information services and software.

Covering Costs The CCDC receives no grant funding to support core data activities access to and preservation of the structure of record associating rich metadata to enable discovery and reuse validation by expert scientific staff development and maintenance of software systems to support all of the above

Covering Costs The CCDC receives no grant funding to support its core activities We rely solely on income generated through value-added services primarily CCDC software solutions that exploit the CSD applying structural knowledge generated from experimental data drug discovery, crystal engineering, design of new materials, etc. desktop applications, web services, APIs

Revenue and Reserves Annual turnover of CCDC is £4-5M (~$6M) CSD and Software, 2015 Annual turnover of CCDC is £4-5M (~$6M) 60-70% from industry, 30-40% from academia Annual budget typically set to break-even as a registered charity the CCDC cannot make a profit any surplus must be reinvested in the organisation Reserves built up over the years provide funds to cover the risk of unforeseen circumstances fund studentships and support external scientists invest in short-term R&D activities User Community Number of Sites, May 2014 Costs Relative spend, 2015 http://apps.charitycommission.gov.uk/Accounts/Ends79/0000800579_AC_20141231_E_C.pdf

Current Sustainability Model Advantages Free access to and discoverability of enriched structures of record Financial and scientific input from industry - academia benefit from both Accountable to users of the data through the services we provide Independent status allows us to build and manage R&D funds Flexibility to allocate expenditure where needed Not sensitive to impact of changes in the allocation of grant funding Disadvantages Sensitive to the fortunes of industry (pharma in particular) Balancing industrial/academic/community desires Overhead of attracting and managing around 1,400 financial contributions Financial barrier to value-added services possibly discourages casual use Some restrictions on free services

Where to draw the line? CSD-Community – free to all access to and preservation of the structure of record assigning dataset DOIs and linking data and literature validation and enrichment by expert scientific staff resources to support teaching and education interoperability with third party resources to enable discovery services enabling structure lookup and download software providing structure visualisation and validation CSD-Enterprise – financial contribution requested software and services enabling systematic search and analysis software solutions supporting application of knowledge to specific problems Fountain Pen courtesy of Clker.com via clipartlord.com.

Countries Contributing Data Countries Using Value-added Services Community Acceptance Countries Contributing Data Analysis based on a sampling of e-mail address domains 24 countries with academic country-wide licences Colour-coding reflects nature of academic arrangements Countries Using Value-added Services Sources of academic financial contributions include country-wide arrangements through National Affiliated Centres institutional libraries individual researchers and groups

Controlling Costs, Developing Income Consolidating current revenue sources country-wide agreements enabling unlimited academic access Optimising workflows to keep up with demand investment in internal infrastructure supported by R&D Fund Consultancy-based services rewards thus far small but growing interest and opportunity Engagement in research initiatives funding to support development of new approaches and services Addressing the pharmaceutical industry’s desire to deliver medicines more effectively to patients A four-year collaboration between pharmaceutical companies, solution providers and academia https://www.addopt.org/

The Cambridge Crystallographic Data Centre 850,000+ publicly accessible crystal structures 60,000+ datasets processed and enriched per year 50+ years of sustainability Sustainable access to research data through value-added services and software International Data Repository Archive of crystal structure data High quality scientific database Scientific Software Provider Search/analysis/visualisation tools Scientific applications and APIs Collaborative Research Organisation New methodologies Fundamental research Dedicated to the advancement of chemistry and crystallography for the public benefit through providing high quality information services and software.