acd/labs and idbs: analytical data alive and kickingacd/labs and idbs: analytical data alive and...
TRANSCRIPT
![Page 1: ACD/Labs and IDBS: Analytical Data Alive and KickingACD/Labs and IDBS: Analytical Data Alive and Kicking Author: Ryan Sasaki and Paul Denny-Gouldson Subject: IDBS 2015 Keywords: IDBS](https://reader034.vdocuments.us/reader034/viewer/2022042803/5f4716a67b6ef4550d2c8778/html5/thumbnails/1.jpg)
ACD/Labs and IDBS: Analytical Data Alive and
Kicking!
Ryan Sasaki & Paul Denny-Gouldson
IDBS Connect 2015, Philadelphia, PA
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ELN Archive LIMSSDMS ServersInstrument
Computers
Search
EmailWord
DocumentsReports Spreadsheets Raw Data
Processed Data
PDFs Images
Impurity, metabolite, degradant, leachable,
contaminant
How Easy is it to Do This?
API
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Is your Data Dead or Alive?
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Dead Data
Cons
• Searched?
• Re-purposed?
• Re-used?
• Re-Analyzed?
Risks
• Data Quality
• IP Protection
• Knowledge Management
Pros
• Small
• Easy to Send
• Universal
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Peak Search
Spectral Similarity Search
Structure/Sub-Structure Search
Metadata Search
Analyze
Interpret
Re-Process
‘Live’ Data
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‘Live’ Data
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One-and-Done Leads to Missed
Data-Mining Opportunities
Report
Process
Analyze
Interpret
Search?
Re-Use?
Re-Process?
Re-Purpose? DEAD DATA
One-and Done
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Data Archive
One-and-Done Leads to Missed
Data-Mining Opportunities
Report
• Multiple Software Systems
• Incompatible Formats• Dead Data
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Today’s Analytical Informatics Ecosystem
Raw Data Processed Data
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A Universal ‘Live’ Data Language Based on Industry
Partnerships
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Externalization + Dead Data = Lost Knowledge
Big Pharma
CRO1
CRO3
CRO2
CRO5
Spin-
out
CRO4
Knowledge
Knowledge
Knowledge
Knowledge
KnowledgeKnowledge
Knowledge
Knowledge
Yesterday Today
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The De-Evolution of Informatics1
Sponsor
Company
1M.E. Elliot, Scientific Computing October 2012.
CMO/Lab 1
CRO/Lab 2
CMO/Lab 3
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Analytical Knowledge Management
Automated Data Handling
Processed
Data
Raw
Data
Subset of Domain Specific
Data
Client App, Instrument
Vendor Software
Data ArchiveACD/Labs
Automated
Solutions
ACD/Labs
Automation
ID and Characterization Workflows:
• Impurity & Degradants
• Metabolites
• Extractables and Leachables
• Salts and Polymorphs
Regulatory and GxP Requirement
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Spectrus Integration
Subset of Domain Specific
Data
ACD/Labs
Automated
Solutions
ACD/Labs
Automation
ACD/Labs
APIs, Web Services,
Widgets
In-house or 3rd Party Application Front-
EndLIMS
SDMS
ELN
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IDBS
Experiment ID
Network Storage
ACD/Labs Thick Clients
Submit
Analytical Request
O
O
O
+ O
O
O
ACD/Labs Automation
ACD/Labs Thin Clients
ACD/Labs Widgets
The ACD/Labs and IDBS Joint Vision
<metadata>
IDBS EWB Web
Active Integration
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ACD/Spectrus and IDBS EWB Integration
HTML5 Widget
Access to Data in SpectrusDB
Access to Functions from SpectrusDBvia API and Web Services
‘Live’ Data Interactions
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ACD/Spectrus and IDBS EWB Integration
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The ACD/Labs and IDBS Partnership:
Help Us Help You
• Architectural Considerations
• Regulatory Considerations
• Data Reconciliation, Provenance and Redundancy