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. What if… iMRW Integrated Major Reference Works

4. DiscoveryGate Key Challenge: Scientific information is scattered accessed by multiple applications limited in availability restricted functionality 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. The DiscoveryGate Solution

5. Compound Index more than 10 million reactions more than 15 million compounds more than 200 million associate facts ReferencesBioactivitySynthesisSourcingPatents REFLIB SPORE ORGSYN JSM CSM CIRX SCD ACD DWPI PCD Chemicus NCI CMC CCR Toxicity Metabolite MDDR Gmelin Beilstein

6. Access to Integrated Content – Single Interface 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 Not included in basic DiscoveryGate package Structures are indexed in Compound Index. User links out to 3 rd party application to view detailed data 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

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

8. What does this really mean?

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

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

11. Certainly not in a full text search engine!

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

13. 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

14. 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)

15. 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

16. Focused database searches

17. Single view of results from multiple sources Search across an index of compounds from MDL and selected 3 rd 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

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

19. Consult Authoritative Reference Works Search by chemical structure, reaction, or text View integrated results from authoritative reference works: COFGT and CAC Link to and from other reaction databases

20. 3. DiscoveryGate allows you to work like you think – maps to scientist’s thought process Focused database searches Search across an index of structures and properties View integrated results from authoritative reference works: COFGT and CAC Search by chemical structure, reaction, data, or text Display articles, link via the structure from articles to databases

21. 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

22. 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

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

24. 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 3 rd Party vendors such as Derwent

25. 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

26. 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

27. 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

28. 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

29. A Better Way to Get Answers 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 Availability

30. 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.