Ola Spjuth

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Citations	3532	2431
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Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Egon WillighagenBiGCaT, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://scholar.social/@egonwVerified email at maastrichtuniversity.nl
Lars CarlssonRTHS and CRML, University of LondonVerified email at rhul.ac.uk
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Kim KultimaVerified email at medsci.uu.se
Marco CapucciniRIKEN Center for Computational ScienceVerified email at alum.riken.jp
Martin DahlöUppsala UniversityVerified email at scilifelab.uu.se
Salman ToorUppsala University, ScaleoutSystemsVerified email at it.uu.se
Payam Emami KhoonsariNational bioinformatics infrastructure SwedenVerified email at scilifelab.se
Chris EveloHead Department of Bioinformatics - BiGCaT, Maastricht University ORCID:0000-0002-5301-3142Verified email at maastrichtuniversity.nl
Rajarshi GuhaVertex PharmaceuticalsVerified email at vrtx.com
gilleain torranceResearcherVerified email at ebi.ac.uk
Johannes WagenerDepartment of Clinical Microbiology, Trinity College Dublin, the University of Dublin, DublinVerified email at tcd.ie
Erwin LaureVerified email at mpcdf.mpg.de
Janna HastingsUniversity of Zurich, University of St. GallenVerified email at uzh.ch
Sam AdamsUniversity of CambridgeVerified email at cam.ac.uk
Chanin Nantasenamatex-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
Ernst AhlbergLeader Strategist ScientistVerified email at farmbio.uu.se

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, 1-19, 2017	348	2017
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	148	2019
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	147	2007
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	133	2019
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	133	2013
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, 1-15, 2011	90	2011
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, 1-7, 2010	89	2010
Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9, 1-11, 2008	88	2008
Towards reproducible computational drug discovery N Schaduangrat, S Lampa, S Simeon, MP Gleeson, O Spjuth, ... Journal of cheminformatics 12, 1-30, 2020	80	2020
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	79	2013
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	75	2015
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	72	2009
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, 1-12, 2009	67	2009
WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013	66	2013
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	62	2019
Predicting with confidence: using conformal prediction in drug discovery J Alvarsson, SA McShane, U Norinder, O Spjuth Journal of Pharmaceutical Sciences 110 (1), 42-49, 2021	51	2021
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	48	2018
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	48	2013
The LCB data warehouse A Ameur, V Yankovski, S Enroth, O Spjuth, J Komorowski Bioinformatics 22 (8), 1024-1026, 2006	48	2006
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	47	2010

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