Electronic Lab Notebook (ELN)

Symyx Notebook by Accelrys and the Enterprise R&D Architecture

Formulations Capabilities• Solids, liquids, batch formulations• Plan ingredient amounts using a variety of units• Reuse of bulk formulations, common blends• Purity corrections

Pipeline Pilot Integration• Rapid and easy to use graphical user interface for extending Accelrys ELN• Access to 20 scientific libraries and 3500 scientific components to extend

ELN at low cost• No added fee for major and competitively unique functionality

Isentris Integration• Data source connection to ELN repositories• In-depth search capabilities to find experiments• Ability to analyze information across experiments

Symyx Notebook by Accelrys v. 6.6 Highlights

Symyx Notebook by Accelrys: Capturing Complex Data for Business Insights from Lab to Patient

Research Development Manufacturing

Spreadsheets

Analytical Data

Chemical Structures

Text

ImageELN

Biological Information(Sequences/Structures)

Docs ChemistryORACLE

Other3rd Party VendorsLIMS

Biology

Enterprise Lab Management

Workflow Definitionand Capture

Modeling andSimulation

Data Managementand Informatics

3rd Party, Partner & ISV Apps

Scientists R&D ManagerLab Manager

VP, R&D Head of IT &Informatics

ManufacturingPlant Workers

ELN Powered by Accelrys’ Enterprise R&D Architecture

Text & Image Analytics

Statistics & Analytics

Reporting 3rd Party and ISV

Laboratory Ops

Material Science

Analytical Instruments

BiologyChemistry

Pipeline Pilot™

Discovery Studio

Materials Studio

Isentris Registration Pipeline PilotLEAELN

Web

Accelrys Pipeline Pilot: Adds Analytics and Reporting for Improved Business Insights

Research Development Manufacturing

Spreadsheets

Analytical Data

Chemical Structures

Text

ImageELN

Biological Information(Sequences/Structures)

Pipeline Pilot• Analysis• Processing• Reporting

Scientists benefit from a rich library of science-specific capabilities available within the ELN designed to accelerate experiment design, analysis, and reporting.

Developers deliver faster, higher quality, lower cost extensions in the ELN using the rapid GUI development environment and Pipeline Pilot scientific collections.

Benefits of New Pipeline Pilot Integration

• Enterprise scientific data pipelining platform

– Data Collection and Integration– Analysis– Visualization– Application deployment

• Capabilities– Integration of diverse data and applications– Automated scientific data analysis and

processing– Capture and deployment of best-practice

scientific workflows

• Features– Processing of molecular, sequence, image,

document, text and numeric data types– Graphical building of protocols (scientific

workflows)– Advanced data mining and visualization– Application development platform

Pipeline Pilot Overview

• Chemistry– Chemistry collection– ADME/Tox collection

• Biology– Sequence analysis– Gene expression– Mass spec for proteomics– Next generation sequencing

• Materials– Solve crystal structures– Solvent effects

• Laboratory– Analytical instrumentation– Plate data analytics

• Imaging– Basic imaging– Advanced imaging

• Modeling and statistics– R-statistics– Modeling and advanced modeling

Pipeline Pilot — Extensive Collections Enrich Symyx Notebook by Accelrys Capabilities

A Pipeline Pilot toolkit that provides methods to process, interact with and analyze data from plate based assays

Example: Plate Data Analytics Collection Analysis of Biology, Analytical and Material Properties

ELN Empowerment with Pipeline Pilot and Collections

Rapid application development

Library of re-usable scientific productivity components Scientific applications

Design Distribute

Pipeline Pilot client

Pipeline Pilot Collections

Publish

Custom Pipeline Pilot Protocols

Example Application: Build Dashboards for Chemists, Biologists and Materials Scientists

Plate Heat Map Plate XY Charts Time Series Plate XY Charts Dose Response

Plate Histogram Plate Bar Charts Plate XY Charts

Reporting elements that you can use to build dashboards

Examples:Pipeline Pilot Integrations

Formulations Design of Experiment

Define materials and amount parameters in the Formulation Materials section

Define additional parameters (batch size and unit) to send to Pipeline Pilot for calculation of the design

Pipeline Pilot returns a list of formulation experiments to the Experiment list (spreadsheet section) and the corresponding formulations are automatically created in the Formulations section

Green Chemistry – Process Mass Intensity

Calculate planned and actual PMI, instantly providing a sense of the relative greenness of a synthetic step

Calculate PMI for both intermediates and products in a multistep synthesis, or only the final product if a one-pot synthesis

Analyze Biology Data in the ELNPipeline Pilot Plate Data Analytics

Add Biology Calculations to the ELNPipeline Pilot — add in vivo statistics and analytics

Isentris Integration with the Symyx Notebook by Accelrys

Accelrys Isentris: Empowering Researchers to Explore and Re-Use Knowledge for Business Insights

Research Development Manufacturing

Spreadsheets

Analytical Data

Chemical Structures

Text

ImageELN

Biological Information(Sequences/Structures)

Pipeline Pilot• Analysis• Processing• Reporting

Isentris• Explore• Innovate• Report

Accelrys Isentris OverviewHighly configurable information exploration and reporting

Table Detail formGrid View

Word, PDF, HTML PowerPoint SharePoint

Scientific Applications Delivered on IsentrisCustomers use Isentris for:

Lab Analysis & Reportingbridging silos of data

Structure Activity Relationshipsincreasing understanding

Synthesis Planningless repeated work

Corporate Analysis & Reportingincrease collaborationincrease innovation

• Paper notebook shortcomings Information is difficult to find, share, reuse, secure

• ELN benefitsUnstructured and structured information is ease to

capture, organize, share, search and reuse

ELNs: More Than a Simple Paper Replacement

•Unstructured•~80%•Text•Document•Spreadsheet

ELNs

Repository

Symyx Notebook Isentris Data Source – Out-of-the-box access outside the ELN– Unparalleled views and insight into the ELN

• By Reaction - Show me all experiments that have this reaction

• By Document - For each document show me all materials • By materials - For each material show me all properties• By properties - For each researcher show me all documents• By text- Show me which documents contain this key word

– Extensible to other data sources – integrate LIMS, CDS, registration, inventory, metrology, etc., information into a report

Symyx Notebook by Accelrys v. 6.6 Delivers Data Source for Isentris

New insights into notebook experiments:

• Find and return notebook experiments

• Search and compare information across experiments

• Combine and integrate 3rd party information with ELN information

Isentris Now Delivers Open Box to Notebook Experiment Information

Accelrys Isentris

Turning experiment information into corporate insight

Example: Scientific PlanningCollaborative Route Design in Pharmaceutical Development

Symyx Notebook

Read/WriteExperiments

RXNs

ELN R&D Reactions

Symyx NotebookExperiments – ‘real’ Rxns

4Generate plans for

experimental studies based on prioritized Route

Concepts

1 Launch RXN Planner Dynamic Route

Exploration

Isentris

Evaluate existing route(s) and in-house knowledge

Commercial RXN DB

In-house IDSDG web services

ACD

In-houseDB

3Evaluate Route Concepts and

ideas Vs. known chemistry and available raw

materials

2

ELN Templates for Theoretical RXNs

Symyx Notebook‘Theoretical’ Rxns

Ideas GenerationGenerate new Route Concepts

• Improved project management: analyze and compare information across experiments to determine actionable throughput, quality and productivity improvements

• Reduce re-invention and repeat less: improved search tools minimizes missing legacy experimentation

• Reduced experimentation: compare / contrast multiple experiments, learn and improve experiment design

• Improve compliance and QC: analyze cross experiments looking for trends, deviations and improvements to SOPs

• Improve innovation and insight: integrate 3rd party information to enrich decision making information

• Faster reporting: integrate ELN data with 3rd party databases to accelerate reports that include multiple sources of information

Benefits for Scientists

• Reduced cost of ownership - No need to warehouse and support ETL like other vendors

• Reduced development – Out-of-the-box application to access information remotely from the Notebook

Benefits for Research IT

Summary: Accelrys ELN + Isentris + Pipeline PilotCapture, Access, Analyze, Report and Share

Research Development Manufacturing

Spreadsheets

Analytical Data

Chemical Structures

Text

ImageELN

Biological Information(Sequences/Structures)

Pipeline Pilot• Analysis• Processing• Reporting

Isentris• Explore• Innovate• Report

Learn More: accelrys.com/eln

Learn what an ELN can do for you:

• Read case studies

• Watch videos

• View webinars

www.accelrys.com/eln