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Let your Data live On The ACD/Labs Approach to Laboratory Informatics Presented By Maria Varlan ACD/Labs User’s Meeting PANIC 2017 20 th February, 2017

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  • Let your Data live On The ACD/Labs Approach to Laboratory Informatics

    Presented By Maria Varlan

    ACD/Labs User’s Meeting PANIC 2017

    20th February, 2017

  • Today’s Analytical Software Ecosystem

  • Today’s Analytical Software Ecosystem

    1.0

    4

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  • Today’s Analytical Software Ecosystem

    Raw Data

    Processed Data

    Dead DataFrozen Data

  • Dead vs. Live & Interconnected Data

    • Dead is mainly one-and-done and only retrievable when – You know what to look for

    – Where to look

    – You have the tools to read the data

  • Dead Data

    • Structure/spectrum searchable?

    • Re-purposed?

    • Re-used or one-and-done?

    • Re-analyzed?

    • Knowledge sharing?

    • True IP protection?

    • Gain insight?

  • Dead vs. Live & Interconnected Data

    • Dead Data is mainly one-and-done and only retrievable

    when – You know what to look for

    – Where to look

    – You have the tools to read the data

    • Live Data, if it is standardized, stored, and indexed

    appropriately and interconnected with other analytical

    data and the chemical context – You don’t need to know what to look for

    – You can re-use it instantly

    – You can gain new insights and preserve chemical intelligence

  • Analytical Data Handling on the Spectrus Platform

    06-Mar-17 Advanced Chemistry Development, Inc. (ACD/Labs) 9

  • Unified, Live and Assembled Data

    06-Mar-17 Advanced Chemistry Development, Inc. (ACD/Labs) 10

  • Assignments

    LIVE Spectra

    Chemical Reaction

    Assignments

    LIVE Spectra

    LIVE Spectra

  • 06-Mar-17 Advanced Chemistry Development, Inc. (ACD/Labs) 12

    Interactive, Actionable LIVE Data!

  • Effective Analytical Knowledge Management

    06-Mar-17 13

    “We are generating knowledge too fast to

    stay in our heads. We need a repository of

    knowledge that doesn’t forget, doesn’t go

    senile, doesn’t retire and doesn’t leave the

    company for a competitor.”

  • Decision Support

    06-Mar-17 14

    What is it?

    How was it formed?

    What will it transform to in the next

    stage?

    Have I seen it before?

    What levels have I seen before?

    What levels are acceptable?

  • Greater Efficiency

    06-Mar-17 15

    “Custom ACD/Labs Projects have

    improved workflow efficiency for all users

    and provided an organized data/reports

    repository for easy access and for future

    intelligence projects…saving Chemists

    countless hours…and helping them

    chemists make better decisions in the

    structural characterization process and

    thereby reducing potential sample

    registration errors.”

    Steve Hollis

  • Insights from Data

    “….use information and past

    outcomes to successfully drive

    future actions. Learn from your

    successes (and failures) to

    make better and faster

    decisions.”

    Steve Thomas 06-Mar-17 16

  • ACD/Labs’ Informatics Platform

    Traditional

    • Scattered Dead Data

    • Email Transfer

    • Manual Data Transcription

    • Documents, Spreadsheets, PDF

    ACD/Labs

    • Immediate Access

    • Translated Live Data

    • Actionable Data

    • Chemical Insights

    • Structured Formats

    CH3

    O

    CH3 O

    NHNH

    N

    OH OO N

    H

    CH3CH3