Ola Spjuth

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Egon WillighagenAssistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542Verified email at maastrichtuniversity.nl
Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Lars CarlssonStena Line and CLRC University of LondonVerified email at stenaline.com
Samuel LampaIndependent researcher and R&D Consultant at Savantic ABVerified email at savantic.se
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
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
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
Payam Emami KhoonsariNational bioinformatics infrastructure SwedenVerified email at scilifelab.se
Salman ToorUppsala University, ScaleoutSystemsVerified email at it.uu.se
Sam AdamsUniversity of CambridgeVerified email at cam.ac.uk
Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl
Janna HastingsUCL, OvGU Magdeburg, EPFLVerified email at ucl.ac.uk
Erwin LaureVerified email at mpcdf.mpg.de
Ernst AhlbergLeader Strategist ScientistVerified email at farmbio.uu.se
Scott BoyerCEO ChemotargetsVerified email at chemotargets.com
gilleain torranceResearcherVerified email at ebi.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	204	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	139	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	109	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	86	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	85	2010
Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9 (1), 1-11, 2008	80	2008
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	79	2011
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	65	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	59	2015
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	58	2019
WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013	53	2013
The LCB data warehouse A Ameur, V Yankovski, S Enroth, O Spjuth, J Komorowski Bioinformatics 22 (8), 1024-1026, 2006	53	2006
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	42	2014
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	42	2013
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
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	40	2019
Toxicology ontology perspectives B Hardy, G Apic, P Carthew, D Clark, D Cook, I Dix, S Escher, J Hastings, ... ALTEX-Alternatives to animal experimentation 29 (2), 139-156, 2012	38	2012
Linking the resource description framework to cheminformatics and proteochemometrics EL Willighagen, J Alvarsson, A Andersson, M Eklund, S Lampa, M Lapins, ... Journal of biomedical semantics 2 (1), 1-24, 2011	36	2011

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