Ola Spjuth

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Jonathan AlvarssonUppsala UniversityVerified email at farmbio.uu.se
Egon WillighagenTGX, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://social.edu.nl/@egonwVerified email at maastrichtuniversity.nl
Lars CarlssonRTHS and CRML, University of LondonVerified email at rhul.ac.uk
Samuel LampaBioinformatician at Karolinska University HospitalVerified email at ki.se
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
Kim KultimaVerified email at medsci.uu.se
Nina JeliazkovaIdeaconsult Ltd.Verified email at ideaconsult.net
Marco CapucciniVoi Technology ABVerified email at voiapp.io
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
Johannes WagenerDepartment of Clinical Microbiology, Trinity College Dublin, the University of Dublin, DublinVerified email at tcd.ie
gilleain torranceResearcherVerified email at ebi.ac.uk
Ernst AhlbergLeader Strategist ScientistVerified email at farmbio.uu.se
Erwin LaureVerified email at mpcdf.mpg.de
Chanin Nantasenamatex-Professor, Faculty of Medical Technology, Mahidol University, ThailandVerified email at mahidol.edu
Janna HastingsUniversity of Zurich, University of St. GallenVerified email at uzh.ch
Sam AdamsUniversity of CambridgeVerified 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, 1-19, 2017	467	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	198	2019
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	182	2019
Towards reproducible computational drug discovery N Schaduangrat, S Lampa, S Simeon, MP Gleeson, O Spjuth, ... Journal of cheminformatics 12, 1-30, 2020	160	2020
Bioclipse: an open source workbench for chemo-and bioinformatics O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, ... BMC bioinformatics 8, 1-10, 2007	155	2007
The ChEMBL database as linked open data EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ... Journal of cheminformatics 5, 1-12, 2013	149	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	100	2011
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	97	2021
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	94	2010
Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9, 1-11, 2008	91	2008
Experiences with workflows for automating data-intensive bioinformatics O Spjuth, E Bongcam-Rudloff, GC Hernández, L Forer, M Giovacchini, ... Biology direct 10, 1-12, 2015	89	2015
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	84	2013
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, 1-5, 2009	75	2009
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	73	2019
WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013	73	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, 1-12, 2009	68	2009
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	67	2018
Container-based bioinformatics with Pachyderm JA Novella, P Emami Khoonsari, S Herman, D Whitenack, M Capuccini, ... Bioinformatics 35 (5), 839-846, 2019	66	2019
The machine learning life cycle and the cloud: implications for drug discovery O Spjuth, J Frid, A Hellander Expert opinion on drug discovery 16 (9), 1071-1079, 2021	62	2021
Metabolomics: the stethoscope for the twenty-first century H Ashrafian, V Sounderajah, R Glen, T Ebbels, BJ Blaise, D Kalra, ... Medical Principles and Practice 30 (4), 301-310, 2021	60	2021

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