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Contents A 4 What’s next for the ELN?


Steve Yemm, CEO of BioData, gives his insights on the future of ELN technologies


6 Accelerating drug discovery


Sophia Ktori reports on the use of AI and machine learning methods in drug development


12


Cloud computing and drug development


Wes Childs, senior director at IDBS, highlights the benefits of cloud to help organisations accelerate drug discovery


14


Managing a laboratory in the cloud


Robert Roe takes a look at the strategies used by laboratory managers to make efficient use of cloud resources


18


Addressing the reproducability issue


SciNote CEO Dr Klemen Zupancic discusses the challenge of improving reproducibility in science using ELN technology


22 The heart of the matter


Ross Upton, CEO and academic co-founder at Ultromics, discusses the potential to implement AI in clinical diagnostics


24 Using AI to fight cancer


Researchers at Microsoſt and the Jackson Laboratory are using AI to curate and refine data that can be used to better treat cancer patients


26 News


A round-up of key news stories from throughout the year


s we approach the beginning of 2020 it is clear that the amount of data that is created by, and available to, laboratories has increased drastically


over the last five to ten years. Tis influx of new data, coupled with sophisticated soſtware and increased computing performance, is driving new avenues of scientific research, particularly in artificial intelligence (AI) and machine learning (ML). Te Laboratory Informatics Guide serves as


a resource to guide laboratory users through the latest developments in informatics soſtware, and this year the publication highlights to changes in the way that scientists create and consume data in the laboratory. On page 4 Steve Yemm, CEO of BioData, gives


his insights on the future of ELN technologies. Following that Sophia Ktori reports on changes to the drug discovery pipeline which are being enabled through the use of AI and machine learning. On page 12, Wes Childs, senior director, Engineering at IDBS, highlights the benefits of cloud to help organisations accelerate drug discovery. He argues that cloud-based informatics can help to provide a platform for collaboration and help organisations manage the increasing amount of data used by many laboratory scientists. Later in this issue, on page 14, Robert Roe


highlights the strategies used by laboratory managers to implement cloud-based informatics platforms. Cloud computing is being used to provide a stable platform for data management, while also allowing businesses to scale to meet the needs of new workflows, such as AI and ML. On page 20, Ross Upton, CEO and academic


co-founder at Ultromics, discusses the potential to implement AI in clinical diagnostics and then we have another application of AI on page 24, with a report on research carried out by Microsoſt and the Jackson Laboratory.


SUBSCRIPTIONS: The Laboratory Informatics Guide 2020 is published by Europa Science Ltd, which also publishes Scientific Computing World. Free registration is available to qualifying individuals (register online at www.scientific-computing.com). Subscriptions £100 a year for six issues to readers outside registration requirements. Single issue £20. Orders to ESL, SCW Circulation, 4 Signet Court, Cambridge CB5 8LA, UK. Tel: +44 (0)1223 221030. Fax: +44 (0)1223 213385. ©2016 Europa Science Ltd. Whilst every care has been taken in the compilation of this magazine, errors or omissions are not the responsibility of the publishers or of the editorial staff. Opinions expressed are not necessarily those of the publishers or editorial staff. All rights reserved. Unless specifically stated, goods or services mentioned are not formally endorsed by Europa Science Ltd, which does not guarantee or endorse or accept any liability for any goods and/or services featured in this publication.


US copies: Scientific Computing World (ISSN 1356-7853/USPS No 018-753) is published bi-monthly for £100 per year by Europa Science Ltd, and distributed in the USA by DSW, 75 Aberdeen Rd, Emigsville PA 17318-0437. Periodicals postage paid at Emigsville PA. Postmaster: Send address corrections to Scientific Computing World PO Box 437, Emigsville, PA 17318-0437.


Cover: Shutterstock.com Cover image and all other images: Shutterstock.com


EDITORIAL AND ADMINISTRATIVE TEAM Managing Editor: Tim Gillett (editor.scw@europascience.com) Editor: Robert Roe (robert.roe@europascience.com) Feature Writers: Peter Boogaard, Sophia Ktori Circulation/readership enquiries: subs@europascience.com


ADVERTISING TEAM Advertising Sales Manager: Mike Nelson (mike.nelson@europascience.com) Tel: +44 (0) 1223 221039 Fax +44 (0) 1223 213385


DESIGN TEAM Production manager: David Houghton (david.houghton@europascience.com) Senior graphic designer: Zöe Andrews (zoe.andrews@europascience.com)


CORPORATE TEAM Managing director: Warren Clark Web: www.scientific-computing.com


www.scientific-computing.com/LIG20 3


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