Ola Spjuth

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Egon WillighagenAssistant Professor at BiGCaT, Maastricht University The Netherlands, ORCID:0000-0001-7542-0286Verified email at maastrichtuniversity.nl
Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Samuel LampaIndependent researcher and R&D Consultant at Savantic ABVerified email at savantic.se
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Marco CapucciniRIKEN Center for Computational ScienceVerified email at alum.riken.jp
Kim KultimaVerified email at medsci.uu.se
Martin DahlöUppsala UniversityVerified email at scilifelab.uu.se
Johannes WagenerDepartment of Clinical Microbiology, Trinity College Dublin, the University of Dublin, DublinVerified email at tcd.ie
Payam Emami KhoonsariNational bioinformatics infrastructure SwedenVerified email at scilifelab.se
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
Salman ToorUppsala University, ScaleoutSystemsVerified email at it.uu.se
Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl
gilleain torranceResearcherVerified email at ebi.ac.uk
Janna HastingsUCL, OvGU Magdeburg, EPFLVerified email at ucl.ac.uk
Erwin LaureVerified email at mpcdf.mpg.de
Sam AdamsUniversity of CambridgeVerified email at cam.ac.uk
Ernst AhlbergLeader Strategist ScientistVerified email at farmbio.uu.se
Chanin NantasenamatAssociate Professor, Faculty of Medical Technology, Mahidol University, ThailandVerified email at mahidol.edu
robert c. glenCambridge University and Imperial College LondonVerified email at cam.ac.uk

Ola Spjuth

Professor at Department of Pharmaceutical Biosciences, Uppsala University

Verified email at farmbio.uu.se - Homepage

drug discovery AI machine learning cell profiling predictive toxicology


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The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ... Journal of cheminformatics 9 (1), 1-19, 2017	249	2017
Bioclipse: an open source workbench for chemo-and bioinformatics O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, ... BMC bioinformatics 8 (1), 1-10, 2007	140	2007
The ChEMBL database as linked open data EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ... Journal of cheminformatics 5 (1), 1-12, 2013	120	2013
Deep learning in image cytometry: a review A Gupta, PJ Harrison, H Wieslander, N Pielawski, K Kartasalo, G Partel, ... Cytometry Part A 95 (4), 366-380, 2019	105	2019
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse L Carlsson, O Spjuth, S Adams, RC Glen, S Boyer BMC bioinformatics 11 (1), 1-7, 2010	86	2010
Open data, open source and open standards in chemistry: the Blue Obelisk five years on NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ... Journal of cheminformatics 3 (1), 1-15, 2011	81	2011
Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9 (1), 1-11, 2008	81	2008
Transfer learning with deep convolutional neural networks for classifying cellular morphological changes A Kensert, PJ Harrison, O Spjuth SLAS Discovery: Advancing Life Sciences R&D 24 (4), 466-475, 2019	78	2019
Bioclipse 2: A scriptable integration platform for the life sciences O Spjuth, J Alvarsson, A Berg, M Eklund, S Kuhn, C Mäsak, G Torrance, ... BMC bioinformatics 10 (1), 1-5, 2009	69	2009
Lessons learned from implementing a national infrastructure in Sweden for storage and analysis of next-generation sequencing data S Lampa, M Dahlö, PI Olason, J Hagberg, O Spjuth Gigascience 2 (1), 2047-217X-2-9, 2013	68	2013
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services J Wagener, O Spjuth, EL Willighagen, JES Wikberg BMC bioinformatics 10 (1), 1-12, 2009	65	2009
Experiences with workflows for automating data-intensive bioinformatics O Spjuth, E Bongcam-Rudloff, GC Hernández, L Forer, M Giovacchini, ... Biology direct 10 (1), 1-12, 2015	63	2015
WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013	54	2013
The LCB data warehouse A Ameur, V Yankovski, S Enroth, O Spjuth, J Komorowski Bioinformatics 22 (8), 1024-1026, 2006	54	2006
PhenoMeNal: processing and analysis of metabolomics data in the cloud K Peters, J Bradbury, S Bergmann, M Capuccini, M Cascante, P de Atauri, ... Gigascience 8 (2), giy149, 2019	47	2019
A unified proteochemometric model for prediction of inhibition of cytochrome P450 isoforms M Lapins, A Worachartcheewan, O Spjuth, V Georgiev, V Prachayasittikul, ... PLoS One 8 (6), e66566, 2013	45	2013
Conformal regression for quantitative structure–activity relationship modeling—quantifying prediction uncertainty F Svensson, N Aniceto, U Norinder, I Cortes-Ciriano, O Spjuth, L Carlsson, ... Journal of chemical information and modeling 58 (5), 1132-1140, 2018	44	2018
Ligand-based target prediction with signature fingerprints J Alvarsson, M Eklund, O Engkvist, O Spjuth, L Carlsson, JES Wikberg, ... Journal of chemical information and modeling 54 (10), 2647-2653, 2014	44	2014
Towards interoperable and reproducible QSAR analyses: Exchange of datasets O Spjuth, EL Willighagen, R Guha, M Eklund, JES Wikberg Journal of cheminformatics 2 (1), 1-7, 2010	41	2010
Container-based bioinformatics with Pachyderm JA Novella, P Emami Khoonsari, S Herman, D Whitenack, M Capuccini, ... Bioinformatics 35 (5), 839-846, 2019	39	2019

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