(ATS3-APP02)What's new in Isentris 4.0

Laurent RebionDirector Europe, Field Application Scientists

laurent.rebion@accelrys.com

The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision.

Agenda

• Basic Maths• Enhanced Chart• Virtual Parents• Structure Handler in Isentris for

Excel• Enhanced LEA Access, incl. Data

Export• New set of Tools

• New Support

Accelry Enterprise Platform Integration will be covered

tomorrow morning in(ATS3-APP07)

Basic Maths

• Several Math calculators are provided for you

• Cheshire• Use JavaScript

– arg– arg1 and arg2

Enhanced Chart

• The graphing form in Isentris has been enhanced to support graphing that includes “color-by,” “shape-by,” and “size-by” parameters

Virtual Parents

• The primary goal of Virtual Parents is to gain performance when there are many fields that we want to group that are in 1:1 relation with the root.

• In the past, we used to put them in 1:1 parent connector• Internally there is no such thing as a 1:1 parent… it is still a 1:many.• Each time you add a field in a dynamic table, Isentris has to re-fetch all

records (using individual selects for each parent)• This was very slow.

Structure Handler in Isentris for Excel

Selected Fields: Substance Registry Number, MDL Number, Chemical name and MolStructure

500 1000 3000 5000 10000 200000

50

100

150

200

250

300

350

400

8 15

50

82

174

335

6 1232

54

108

221

Isentris 3.3 (Sec)Isentris 4.0 (Sec)

• Better reliability and performance

Enhanced LEA Access, incl. Data Export

• Summary View– View of the libraries returned in a

search and all of the experiments performed on each library.

– This type of view allows LEA users to quickly see what type of data has been returned from the query including who did it and when it was done. This saves a lot of time when poking around in the large datasets that LEA produces.

Enhanced LEA Access, incl. Data Export

• Flag– The ability to set flags on LEA data: Invalid,

Questionable, Best, Released, etc.– These flags can be used to filter data when

browsing.– Flags can be set at the element OR experiment

level from Isentris.

Enhanced LEA Access, incl. Data Export

• Data Export– Images and XY datasets (as

graph images or as numeric data) may be exported singly or in batches

– Can be used out of the application, in reports or other applications such as image analysis or further manipulation of spectra

Additional Tools

• Filter by Name

• Calendar in Query Form

• Display Name in DSBuilder

• Contains() in a SQL Based lookup

Support MatrixElement Versions

Server OS (mid-tier) Windows Server 2008 R2 (64 bit)Solaris 10Red Hat Linux 5

Client OS Windows 7 (32 and 64 bit)Windows Vista SP2 (32 bit)

Oracle Versions 11.2.0.2, 11.2.0.1, 11.1.0.7

Pipeline Pilot 8.5 CU1, 8.0 CU2 or higher

Direct 8.0 SP1, 7.0, 6.3

Draw 4.0 SP1 (Necessary actions are planned to support Draw 4.1 upon release)

Office Office 2010Office 2007

Tibco Spotfire 3.2

Citrix Presentation Server 6.0

SQL*Express (for Personal Edition) 2008

• Isentris 4.0 supports the “new” Tibco Spotfire architecture.

• Isentris 4.0 no longer supports Spotfire DecisionSite.

Support for Tibco Spotfire

Toxicity Results in Isentris Client

Export Records to Spotfire

Choose Fields and First Visualization

Choose Parameters in Spotfire

Select Data Points

“Isentris” Button Returns Selection

New Recordset Based on Selection

• Isentris 4.0 is bringing calculation on the fly, Enhanced Chart, new structure handler in Excel, new LEA capabilities, new spotfire integration and virtual parents.

• More…– Learn about the Isentris integration with Accelrys Enterprise Platform in

(ATS3-APP07) Isentris integration with the Accelrys Enterprise Platform– Learn how to optimize your IDS in (ATS3-APP03) Building and

Optimizing IDS's for Isentris– Learn how to leverage your existing IDS in (ATS3-PLAT05) Accelrys Query

Service

Summary

The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision.

For more information on the Accelrys Tech Summits and other IT & Developer information, please visit:https://community.accelrys.com/groups/it-dev