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Chemistry & Life Science Data
What do we do?
Is is new (claimed)? NoveltyCan I get, buy, make it? AvailabilityIs it useful? Validation
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
Database BrowserDatabase Browser
iMRWiMRWJournalsJournals
LinkFinderLinkFinder
Compound IndexCompound Index
more than 10 million reactionsmore than 10 million reactions more than 15 million compoundsmore than 15 million compounds
more than 200 million associate factsmore than 200 million associate facts
References Bioactivity Synthesis Sourcing Patents
REFLIBREFLIB
SPORESPORE
ORGSYNORGSYN
JSMJSM
CSMCSM
CIRXCIRX
SCDSCD
ACDACD
DWPIDWPI
PCDPCD
ChemicusChemicus
NCINCI
CMCCMC
CCRCCR
ToxicityToxicity
MetaboliteMetabolite
MDDRMDDR
GmelinGmelin
BeilsteinBeilstein
Access to Integrated Content – Single Interface
Synthetic MethodologyChemInform Reaction LibraryCurrent Synthetic MethodologyDerwent Journal of Synthetic MethodsORGSYN DatabaseMDL Solid-Phase Organic ReactionsMDL Reference Library of Synthetic MethodologyISI Current Chemical ReactionsIntegrated Major References Works
Patent sourcesMDL Patent Chemistry DatabaseDerwent World Patent Index
•Not included in basic DiscoveryGate package•Structures are indexed in Compound Index.•User links out to 3rd party application to view detailed data
Chemistry ReferenceCrossFire BeilsteinCrossFire Gmelin MDL Patent Chemistry DatabaseOHS Pure Substance MSDS DatabaseISI Index Chemicus
Bioactivity & PharmacologyMDL Data Drug ReportMDL Metabolite DatabaseMDL Toxicity DatabaseNational Cancer Institute DatabasesMDL Comprehensive Medicinal ChemistryxPharmPharmaPendium
Chemical Sourcing and LogisticsMDL Available Chemicals DirectoryMDL Screening Compounds Directory
xPharm a very xPharm a very extensive review extensive review article about article about drugs, targets, and drugs, targets, and actions.actions.
PharmaPendium brings PharmaPendium brings together preclinical and together preclinical and clinical data andclinical data andintegrates this with post-integrates this with post-market surveillancemarket surveillancereports for a wide reports for a wide selection of approvedselection of approveddrugs. drugs.
Database BrowserDatabase Browser
iMRWiMRW
LinkFinderLinkFinder
JournalsJournalsJournalsJournals iMRWiMRW
LinkFinderLinkFinder
What does this really
mean?
1. DiscoveryGate is a search engine for online journals
Where else can you combine reactions, structures and numerical data?
Certainly not in a full text search engine!
DiscoveryGate is more than an A&I database
A&I Databases:Keyword searchResults: 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?
More details for the researcherProperty data not searchable
Fully searchable in DiscoveryGate
Other Applications: See data of interest if you find relevant recordsDiscoveryGate: Use data of interest to find relevant records
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 & structureSearch by property & structure
Simple Point & Click navigationnSimple Point & Click navigationn
No size limits on resultsNo size limits on results
Navigate (drill down) into Navigate (drill down) into primary databasesprimary databases
Export your results into Export your results into ISIS/Base and ISIS for ExcelISIS/Base and ISIS for Excel
Limit on records that you can Limit on records that you can download can be adjusted by download can be adjusted by the supervisor (MDL)the supervisor (MDL)
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
Focused database searches
Single view of results from multiple sources
Search across an index of compounds from MDL and selected 3rd party databases
Search by property and structureCurrently 8 million unique structuresCan 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
Extend research to the full text
Leverage existing subscriptions by linking automatically from citations to corresponding full text. Use LinkFinder to:
Manage linksorPoint to internal library link resolver
• All bibliographic AND patent references are hyperlinked:
– Always view the primary literature where you have subscribed access
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
Easy to get started & learn
Elsevier MDL Learning CenterInteractive training and pdf user guides
Free to all academic and government users
Context-sensitive help in every application
Training available with subscriptionWeb seminars
Instructor-led by scientists
Enhanced library and researcher support
Online training materials instantly available
Powerful library administration toolsInstitutional customization
Institutional messagingCustomized Library Web LinksSoftware deployment options & flexibility
Integration with local library services and applicationsIntegration with 3rd Party vendors such as Derwent
Key values for librariansMore data
More explicit data than can be found via standard A&I database searchMore 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, SpringerSupports full-text linking with native (or any local OpenURL) link resolver
Open NO USER LIMITS!
Site licence model lets all researchers access at any timeEasy to manageIP recognition, site-wide access
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
In Summary:Content in context – higher researcher value
Get the complete picture before making decisionsSingle query provides a clear map to related and relevant informationExplore known data and make faster decisionsPerform searches that would be otherwise too time consuming or complex
Maps to scientist thought-processFrom lead identification to synthetic planning to ADME/Tox - all in an intuitive user interface
Easily get the information you needUser fewer applications to access scientific contentExplore unfamiliar data sources without training
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
A Better Way to Get AnswersScientific 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 useToo many applicationsToo removed from science
DiscoveryGate connects scientists to many information sources, giving them information needed to make decisions
NoveltyNovelty ValidationValidation
AvailabilityAvailability
Pricing
One Seat controlled by IP address1st year 5’000 Euro2nd year 6’000 Euro3rd year 7’000 Euro afterwards the usual yearly increase of ca. 5%
Access for everyone at a University1st 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.