Chemistry & Life Science Data

1. Chemistry & Life Science Data

2. What do we do? • Is is new (claimed)? Novelty • Can I get, buy, make it? Availability • Is it useful? Validation

3. DiscoveryGate The DiscoveryGate Solution • Scientific information is • scattered • accessed by multiple applications • limited in availability • restricted functionality Key Challenge: • Connects scientists to • many information sources • single portal. • integrates, indexes and links • primary, secondary, tertiary types of content • available without user limits • no access restrictions (7/24) • no functionality limitations.

4. Database Browser more than 10 million reactions more than 15 million compounds more than 200 million associate facts Compound Index References Bioactivity Synthesis Sourcing Patents Beilstein MDDR CIRX ACD PCD Journals iMRW Gmelin Metabolite CSM SCD DWPI Chemicus Toxicity JSM CMC ORGSYN NCI SPORE LinkFinder REFLIB CCR

5. Synthetic Methodology ChemInform Reaction Library Current Synthetic Methodology Derwent Journal of Synthetic Methods ORGSYN Database MDL Solid-Phase Organic Reactions MDL Reference Library of Synthetic Methodology ISI Current Chemical Reactions Integrated Major References Works Patent sources MDL Patent Chemistry Database Derwent World Patent Index Chemistry Reference CrossFire Beilstein CrossFire Gmelin MDL Patent Chemistry Database OHS Pure Substance MSDS Database ISI Index Chemicus Bioactivity & Pharmacology MDL Data Drug Report MDL Metabolite Database MDL Toxicity Database National Cancer Institute Databases MDL Comprehensive Medicinal Chemistry xPharm PharmaPendium Chemical Sourcing and Logistics MDL Available Chemicals Directory MDL Screening Compounds Directory Access to Integrated Content – Single Interface • Not included in basic DiscoveryGate package • Structures are indexed in Compound Index. • User links out to 3rd party application to view detailed data

6. PharmaPendium brings together preclinical and clinical data and integrates this with post-market surveillance reports for a wide selection of approved drugs. xPharm a very extensive review article about drugs, targets, and actions.

7. Database Browser What does this really mean? Journals Journals iMRW iMRW LinkFinder LinkFinder

8. 1. DiscoveryGate is a search engine for online journals

9. Where else can you combine reactions, structures and numerical data?

10. Certainly not in a full text search engine!

11. DiscoveryGate is more than an A&I database What is the difference between DiscoveryGate and an AI database? • A&I Databases: • Keyword search • Results: Abstract text & Pointers • MDL Databases: • Structure/context search • Results: Specific data abstracted into specific data fields

12. More details for the researcher Property data not searchable Fully searchable in DiscoveryGate Other Applications: See data of interest if you find relevant records DiscoveryGate: Use data of interest to find relevant records

13. Find relevant records using known properties 2. DiscoveryGate is not only a search engine, but also a portal to databases with a lot of information, actually the largest chemical fact databases in the world. • Search by property & structure • Simple Point & Click navigationn • No size limits on results • Navigate (drill down) into primary databases • Export your results into ISIS/Base and ISIS for Excel • Limit on records that you can download can be adjusted by the supervisor (MDL)

14. Search across an index of structures and properties • Select the Compound Index and perform a structure and property search • Returns summary data abstracted from the primary source • Click directly into primary databases for more detail

15. Focused database searches

16. Single view of results from multiple sources • Search across an index of compounds from MDL and selected 3rd party databases • Search by property and structure • Currently 8 million unique structures • Can be filtered by property type • A unique “map” of which compounds & detailed data exist • Interlinks to the underlying specific database for detailed review of the underlying data

17. Extend research to the full text • Leverage existing subscriptions by linking automatically from citations to corresponding full text. Use LinkFinder to: • Manage linksor • Point to internal library link resolver • All bibliographic AND patent references are hyperlinked: • Always view the primary literature where you have subscribed access

18. Designed to enhance efficiency • Easy navigation between databases • Point and click data filtering and results organization • Export data to other applications such as Microsoft® Exel, ISIS/Base, ISIS for Excel – you can export structures • Find similar reactions in other databases and references works automatically • Expandable synthesis trees for simplifying the use of reaction databases

19. Easy to get started & learn • Elsevier MDL Learning Center • Interactive training and pdf user guides • Free to all academic and government users • Context-sensitive help in every application • Training available with subscription • Web seminars • Instructor-led by scientists

20. Enhanced library and researcher support Online training materials instantly available

21. Powerful library administration tools • Institutional customization • Institutional messaging • Customized Library Web Links • Software deployment options & flexibility • Integration with local library services and applications • Integration with 3rd Party vendors such as Derwent

22. Key values for librarians More data • More explicit data than can be found via standard A&I database search • More comprehensive data than corresponding records in other products Integrated • Mine a vast pool of scientific information sources via a single query • Integrates Elsevier and MDL sources with other key information sources • E.g. Derwent, ISI, Wiley, Springer • Supports full-text linking with native (or any local OpenURL) link resolver Open • NO USER LIMITS! • Site licence model lets all researchers access at any time • Easy to manage • IP recognition, site-wide access

23. DiscoveryGate benefits for the library (IT) • DiscoveryGate has powerful, easy to use administration tools • Configure additional Library links • Provide institution-wide messaging • Works with existing LMS for full-text linking • DiscoveryGate eases Library IT burden • Web-based - No server needed • New installer – 1 download installs and configures everything • Software updates done automatically • No database maintenance or updates done by the customer • DiscoveryGate integrates with local applications and 3rd party vendors - Derwent, ISI, Springer, Thieme

24. In Summary:Content in context – higher researcher value • Get the complete picture before making decisions • Single query provides a clear map to related and relevant information • Explore known data and make faster decisions • Perform searches that would be otherwise too time consuming or complex • Maps to scientist thought-process • From lead identification to synthetic planning to ADME/Tox - all in an intuitive user interface • Easily get the information you need • User fewer applications to access scientific content • Explore unfamiliar data sources without training

25. In Summary:Content in context – higher researcher value DiscoveryGate is the portal to many databases with the largest collection of facts in chemistry DiscoveryGate maps to the thought process of the chemists DiscoveryGate is the search engine for searching online journals for chemists

26. A Better Way to Get Answers Availability • Scientific information is scattered in disparate locations and must be accessed by multiple applications • Many applications and electronic content sources are not fully utilized • Time consuming to use • Too many applications • Too removed from science • DiscoveryGate connects scientists to many information sources, giving them information needed to make decisions Novelty Validation

27. Pricing • One Seat controlled by IP address • 1st year 5’000 Euro • 2nd year 6’000 Euro • 3rd year 7’000 Euro afterwards the usual yearly increase of ca. 5% • Access for everyone at a University • 1st year 10’000 Euro (for a middle sized university) • 2nd year 12’000 Euro (for a middle sized university) • 3rd year 14’000 Euro afterwards the usual yearly increase of ca. 5% (for a middle sized university) • All prices are an upgrade, so a Beilstein license is a prerequisite. However, we might change the concurrent users into a sufficient large number of users. • ISIS/Base and ISIS for Excel for 400 Euro, or for 6000 Euro we offer an “unlimited” license.