{"id":2144,"date":"2013-12-05T10:19:28","date_gmt":"2013-12-05T10:19:28","guid":{"rendered":"http:\/\/www.dial-a-molecule.org\/wp\/?p=2144"},"modified":"2015-10-27T09:56:21","modified_gmt":"2015-10-27T09:56:21","slug":"upcoming-event-liberating-laboratory-data","status":"publish","type":"post","link":"https:\/\/generic.wordpress.soton.ac.uk\/dial-a-molecule\/upcoming-event-liberating-laboratory-data\/","title":{"rendered":"Liberating Laboratory Data"},"content":{"rendered":"

On the topic of “Liberating Laboratory Data”, Dial-a-Molecule<\/strong><\/a> and AstraZeneca Macclesfield<\/a> would like to announce the meetings:<\/p>\n

Facilitating automated capture and use of laboratory data<\/strong><\/span><\/h3>\n
Monday 20th<\/sup> January 2014
\n&<\/div>\n

Towards an open data description for Electronic Laboratory Notebooks<\/strong><\/span><\/h3>\n
Tuesday 21st<\/sup> January 2014<\/div>\n

at AstraZeneca Macclesfield<\/strong>.<\/p>\n

 <\/p>\n

\u201cDial-a-Molecule\u201d is an EPSRC funded Grand Challenge Network with the aim:<\/p>\n

\u201cIn 20-40 years, scientists will be able to deliver any desired molecule within a timeframe useful to the end-user, using safe, economically viable and sustainable processes.\u201d<\/em><\/p>\n

Critical<\/strong> to achieving this challenge is to be able to reliably predict the outcome of novel reactions<\/strong>, with the implied ability to choose optimum conditions<\/strong> and to be able to repeat procedures accurately<\/strong>. A step change in the quality and quantity of information captured and made available on how processes are carried out, and what the outcomes are, is a necessary enabling step.<\/p>\n

Laboratory equipment is becoming more automated enabling accurate control of parameters, and powerful in situ<\/em> monitoring and sampling technologies have been developed. The number and variety of such data sources must increase rapidly and it is critical for future development that a \u2018plug and play\u2019 method for routing their output, in an openly usable form, into data handling packages (e.g. ELNs, LIMS) is defined.<\/p>\n

Electronic laboratory notebooks (interpreted in the widest sense e.g. including LIMS) are extensively used in industry, and academia is expected to follow in the near future. Inevitably many different solutions have been, and will be adopted. We believe that it is critical to define and encourage adoption of an open standard for description of ELN data to allow its efficient re-use whatever the source. An open standard will also guard against loss of access to data from systems that become unsupported.<\/p>\n

The purpose of the meeting is to establish the current \u2018state of the art\u2019 in the above areas. Industry has invested significant effort in the area and we aim to establish the extent to which the outcomes may be shared and used as the basis for open standards.<\/em><\/span><\/p>\n

Day one<\/strong><\/span> will focus on \u201cFacilitating capture and use of machine generated data\u201d and will include presentations from providers of current and potential solutions in the area. There will be an opportunity to see how a variety of laboratory automation and robotic systems are currently used at AZ. \u00a0Discussions on likely future directions and possible ways forward leading to a generic data routing framework will follow.<\/p>\n

Program – Day 1<\/span><\/strong><\/p>\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
11:00<\/strong><\/td>\nArrival and registration<\/strong><\/td>\n<\/tr>\n
11:30<\/strong><\/td>\nTours of AZ labs & lunch<\/strong><\/td>\n<\/tr>\n
13:00<\/strong><\/td>\nWelcome and introduction to the day<\/strong><\/td>\n<\/tr>\n
13:20<\/strong><\/td>\nGenerating knowledge and wisdom: ELN is just the start<\/strong><\/td>\n<\/tr>\n
<\/td>\nJohn Leonard (AstraZeneca)<\/em><\/td>\n<\/tr>\n
13:40<\/strong><\/td>\nJoachim Thewait (Accelrys)<\/strong><\/td>\n<\/tr>\n
14:00<\/strong><\/td>\nInterface your instruments without a learning curve<\/strong><\/td>\n<\/tr>\n
<\/td>\nJeroen De Haas (Perkin Elmer)<\/em><\/td>\n<\/tr>\n
14:20<\/strong><\/td>\niC data center: connecting the lab with the office<\/strong><\/td>\n<\/tr>\n
<\/td>\nPeter Hillberink (Mettler Toledo)<\/em><\/td>\n<\/tr>\n
14:40<\/strong><\/td>\nLuc Moens (J&J)<\/strong><\/td>\n<\/tr>\n
15:00<\/strong><\/td>\nTea and coffee break<\/strong><\/td>\n<\/tr>\n
15:30<\/strong><\/td>\nTailoring an ELN for a multisite academic project<\/strong><\/td>\n<\/tr>\n
<\/td>\nMurray Robertson (CMAC)<\/em><\/td>\n<\/tr>\n
15:50<\/strong><\/td>\nThe AnIML markup Language: (AnIML) for instrument data storage and access<\/strong><\/td>\n<\/tr>\n
<\/td>\nStuart Chalk (University of North Florida)<\/em><\/td>\n<\/tr>\n
16:10<\/strong><\/td>\nLabBroker: The role and potential of data brokers and exchanges<\/strong><\/td>\n<\/tr>\n
<\/td>\nJeremy Frey (University of Southampton)<\/em><\/td>\n<\/tr>\n
16:30<\/strong><\/td>\nPanel discussion session<\/strong><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

Day two<\/strong><\/span> will focus on \u201cTowards an open data description for Electronic Laboratory Notebooks\u201d and follows from a meeting on the topic in December 2011 which led to a high level schema for describing an overall data structure. There will be presentations on current work and data descriptions used in the area (details of which will be circulated before the meeting) but the bulk of the meeting is expected to be detailed work on defining an initial draft of a data format definition.<\/p>\n

Program Day 2:<\/strong><\/span><\/p>\n\n\n\n
\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n\n
09:00<\/strong><\/td>\nArrival and registration<\/strong><\/td>\n<\/tr>\n
09:30<\/strong><\/td>\nWelcome and introduction to the day<\/strong><\/td>\n<\/tr>\n
<\/td>\nSimon Coles (University of Southampton)<\/em><\/td>\n<\/tr>\n
09:40<\/strong><\/td>\nReflections on early efforts towards a standard for ELN querying and data exchange<\/strong><\/td>\n<\/tr>\n
<\/td>\nDavid Drake (AstraZeneca)<\/em><\/td>\n<\/tr>\n
10:00<\/strong><\/td>\nThe AZ unified data model<\/strong><\/td>\n<\/tr>\n
<\/td>\nPlamen Petrov (AstraZeneca)<\/em><\/td>\n<\/tr>\n
10:30<\/strong><\/td>\nCoffee\/Tea break<\/strong><\/td>\n<\/tr>\n
11:00<\/strong><\/td>\nA common laboratory information framework for data exchange and archiving<\/strong><\/td>\n<\/tr>\n
<\/td>\nRachael Uphill (GSK, Allotrope) & Wolfgang Colsman (Osthus, Allotrope)<\/em><\/td>\n<\/tr>\n
11:15<\/strong><\/td>\nDesigning an ELN that supports controlled sharing*\/and\/* open exchange of data<\/strong><\/td>\n<\/tr>\n
<\/td>\nRory Macneil (Axiope)<\/em><\/td>\n<\/tr>\n
11:30<\/strong><\/td>\nExtraction and analysis of reactions from pharmaceutical ELNS: A personal perspective<\/strong><\/td>\n<\/tr>\n
<\/td>\nRoger Sayle (NextMove Software Ltd)<\/em><\/td>\n<\/tr>\n
11:45<\/strong><\/td>\nChem21DB: – combined eNotebook, reaction database and sustainability metrics functionality for the synthetic chemist<\/strong><\/td>\n<\/tr>\n
<\/td>\nA. Peter Johnson (University of Leeds)<\/em><\/td>\n<\/tr>\n
12:00<\/strong><\/td>\nExchanging chemical structures and ELN data: CDX, CDXML, and other formats<\/strong><\/td>\n<\/tr>\n
<\/td>\nBen Bracke (Perkin Elmer)<\/em><\/td>\n<\/tr>\n
12:15<\/strong><\/td>\nLunch<\/strong><\/td>\n<\/tr>\n
13:15<\/strong><\/td>\nEureka research workbench: Semantic capture of the scientific process<\/strong><\/td>\n<\/tr>\n
<\/td>\nStuart Chalk (University of North Florida)<\/em><\/td>\n<\/tr>\n
13:30<\/strong><\/td>\nDiscussion session one<\/strong><\/td>\n<\/tr>\n
<\/td>\nIdentification of starting points, gaps and commonality in existing models<\/em><\/p>\n

Pull together the parts and identify further work<\/em><\/td>\n<\/tr>\n

15:00<\/strong><\/td>\nCoffee\/tea break<\/strong><\/td>\n<\/tr>\n
15:30<\/strong><\/td>\nDiscussion session two<\/strong><\/td>\n<\/tr>\n
<\/td>\nEstablish a working group to take the initiative forward\u00a0and work towards a roadmap<\/em><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n

Organising Committee:<\/strong><\/span> Simon Coles, Richard Whitby, Jeremy Frey, & John Leonard<\/p>\n","protected":false},"excerpt":{"rendered":"

January 2014, AstraZeneca<\/strong><\/span>
\nA meeting to establish the current state of the art in facilitating the automated capture and use of laboratory data and discuss a open data description for ELNs.<\/p>

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