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.