May 2020 Allotrope Connect

Public Session Day 1, May 6th: Abstracts

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10:00am - Allotrope Product Team: Introduction & product roadmap update

Authors: 

Vinny Antonucci, Director of Informatics & Allotrope Foundation Chair

Matthew Fox, Product Director, Allotrope Foundation

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Abstract: Brief introduction to Allotrope and our organizational mission and vision with transition into product updates and Allotrope Foundation's 2020 product roadmap.

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10:30am - Agilent Technologies: New release of ADFExport for OpenLab & Demo of an example ADF viewer tool to read created ADF

Authors: 

Ralph Mueller, Product Marketing Manager, Agilent Technologies
Henrike Gehring, Allotrope Product Owner, Agilent Technologies
Heiko Fessenmayr, Allotrope R&D Architect, Agilent Technologies

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Abstract: The Agilent Allotrope engagement started 2014, where Agilent Technologies joined Allotrope as a Partner Member followed by the development of several prototypes and the collaboration with different Allotrope members.

 

Fulfilling the aims of the Allotrope Foundation, Agilent has started in 2018 with delivering commercial products for basic ADF export functionality for OpenLab CDS and ChemStation based on the Allotrope Framework.

 

Agilent is releasing a new product combining the ADF export for OpenLab CDS and ChemStation in a single commercial product focusing on metadata export applying the knowledge graph according to the LC-UV data model: ADFExport for OpenLab

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11:00am - Bayer & Boeringer-Ingelheim & Sciex: MassSpec ADF: Streamlined LIMS-Interfacing, Enabling Long-Term access and archiving of Mass Spec Data fully integrated ADF Conversion in Sciex Analyst

Authors: 

Henning Kayser, Digital Transformation Lead  - Crop Science Small Molecules Technologies, Bayer

Paul-James Jones, IS Lead Business Consultant II, Research, Development & Medicine Enablement, IT Dept., Boeringer-Ingelheim

Blair C James, Technical Lead/Solution Architect,Compliance and Professional Services, SCIEX

 

Abstract: Making laboratory data - in this case Triple-quad mass spec data – FAIR to comply with current and future regulatory requirements as long-term availability of “live data”  and its reuse is the driving theme of the present work. In this talk we will explain how we addressed this challenge by implementing a SCIEX Analyst ADF Exporter in a collaborative approach between Boehringer Ingelheim, Bayer and SCIEX. Beyond the living archive use case that improves our regulatory compliance we managed to use this pathway also for decoupling bilateral interfaces between LIMS and Instrument control software by using the ADF as universal data container. Join this presentation to learn more about our business drivers behind this endeavor, as well as insights on technical implementation and demo.

11:30am - TetraScience: TetraScience File Converter: A start-up’s journey to deliver on the promise of Allotrope

Authors: 

Siping "Spin" Wang, CEO and Co-Founder TetraScience

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Abstract: TetraScience believes that storing heterogeneous experimental data sets in one single HDF5 file and embedding ontological labels on key data fields, in a way that can be consumed by any data science and 3rd party software, and can be extended to full semantic graph, is indeed a promising data management strategy for organizations to consider. We came to this conclusion after nearly 3 years of active debate, engagement, and implementation with the Allotrope community and working groups. As a start-up with limited resources, we must explore the questions, “Why ADF? And how to industrialize the creation and consumption of ADF?”

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During this talk, we will discuss:
o    Why we believe standardizing experimental data is so important
o    Our bumpy journey to reach clarity and conviction in ADF and its caveats
o    Our recommendation to the community to identify a pragmatic next step towards industrializing ADF