Symyx Notebook Symyx Notebook by Accelrys by Accelrys for Formulators Electronic Laboratory Notebook (ELN)
The Role of an ELN within the Lab Unstructured data capture, sharing and re‐use
For unstructured data, information and knowledge:
Capture
Re‐use Re use
Collaborate
• Who • What • How • Whyy • When
• Recipes/ formulation • Methods • Results • Data mining
• Tasks • Tech transfer • Reports
Accelrys ELN: Capturing Complex Formulations and Bioformulations Data for Business Insights
Spreadsheets
Chemicals and Biologics Text
Analytical Data Collab orate & Make Infere nces Collab orate & Make Infere nces
Identify New Opport unity
ELN
Identify New Opport unity
Search & Find Data Search & Find Data
Biological Information (Sequences/Structures)
Aerospace
Images
Energy & Petroleum CPG\Food Science
Chemicals
Life Sciences
Why Symyx Notebook by Accelrys? Helps formulators accelerate and improve the d i design, optimization and scale‐up of ti i ti d l f formulations by: – Capturing formulation details efficiently and securely in a system that supports compliance – Providing rapid centralized access to recipes and analytical information – Sharing and managing workflows and information g g g among formulation, (bio)process, (bio)analytical Q /Q and QA/QC teams
Accelrys: ELN for the Enterprise Enterprise ELN with domain‐ Synthetic y & Parallel Chemistry
specific understanding specific understanding
Formulation
Scientists save time Scientists save time creating and reusing scientific know‐how
Process Chemistry
IP protection and d document workflow t kfl
Medicinal Chemistry
Target Id & Validation Analytical Chemistry
Integrated lab operations Integrated lab operations Biologics
Partnerships to build best‐of‐ Partnerships to build best‐of‐ breed solutions for your lab
Pharmacology
Key ELN Benefits for Formulators • Explore and gain insight from past experiments • Clone experiments to save time/reduce errors • Create and share procedure units and recipes to rapidly g design and document formulations • Automate analytical work requests • Capture and share Excel worksheets in compliant environments • Streamline compliance with audit trails, witnessing, and p g document versioning
ELN Collaborative Capabilities Optimize formulation by working in parallel Technician
FFormulation l ti scientist
Notebook Publish plan / design
Design / Plan Execute
Notebook
Analyze Summarize
Design / Plan
SStability bili screening
Collaborative ELN
Execute
Notebook Design / Plan
Analyze
Execute
Summarize
Analyze
Load results
Summarize
Notebook Design / Plan Execute Analyze Summarize
(Bio)Analytical
ELN Formulation Productivity Gains Easily capture and find data
“No Data Regret” Capture p the full context of the experiment Corporate-defined p form sections capture experiment background information Both full-text searching and fieldbased searching
ELN Formulation Productivity Gains Productivity tools to accelerate documentation
Import active ingredients g from other experiments, including purity Add process aids, excipients, p , buffers,, etc. Define solid or liquid batches
Plan ingredient amounts using various units (e.g., g, mL, mg/g, g/L, mass%, mass/vol%, and vol%) Identify Id tif b balance l materials t i l Active Ingredient amounts corrected for purity Record actuals for ingredients and the batch
ELN Formulation Productivity Gains Built‐in formulations Design of Experiment
Pi Pipeline li Pil Pilott returns t a lilistt off formulation experiments to the Experiment list Define additional parameters (spreadsheet section) and Define materials and amount (b (batch h size i and ddiunit) it) to t send d th t corresponding the parameters in the Formulation to Pipeline Pilot formulations arefor calculation Materials section of the design created in the automatically Formulations section
ELN Formulation Productivity Gains Ad hoc excipient screening
Create a common blend
Split p the common blend into sub-lots and run an ad hoc screening of the extragranular ingredients and amounts
ELN Formulation Productivity Gains Sticky notes facilitate collaboration
Facilitate collaboration between authors and reviewers
Comments are not stored as part of the versioned document
Comments can be deleted at anytime
ELN Formulation Productivity Gains Recipes and workflows ensure standardization
Scientist executes recipe following the predecessors specified in the recipe
Scientists can complete, skip, repeat, modify or put Unit Procedures on hold
All deviations are flagged and captured as part of the audit trail
Min/max values and/or signature requirements are displayed for each actual value
ELN Formulation Productivity Gains Audit trails ensure compliance
A new version of the experiment is created at time of check-in View multiple versions of a document at the same time;; roll back to a specific p version Field-level content changes are always tracked and are stored in memory prior to check-in Configurability C fi bilit ffor fifield ld level signing, reasons for change and level of validation
ELN Formulation Productivity Gains ELN Information Storage and Access The ELN’s storage design enables easy information retrieval, analysis, and reporting using tools outside the ELN. Fi d and Find d re-use experiments i t & kknow-how h
Search across all notebooks in the enterprise
Share information in research portals and dashboards
What our ELN Customers Report >50% overall time saving in preparing manufacturing document s (2010 Symyx document s ( Symposium)) $75K projected cumulative net savings per user by 2011 (2009 Symyx Symposium)
25% time saving creating reports and preparing patents (2010 Molecular Connection)
80‐90% of all Notebook entries are now cloned (2010 Symyx Symposium)
Estimated 10% time saving in formulation, analytical and process development (2010 Symyx Symposium) 20 40% i 20‐40% time saving in Method i i M h d Execution E i (2010 Symyx Symposium)
50% of experiments are now cloned (2010 Molecular Connection)
Visit: accelrys.com/eln Learn what an ELN can do for you: • Read case studies • Watch videos • View webinars Visit: accelrys.com/eln
