| 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 | 186 | 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 | 134 | 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 | 103 | 2013 |
| 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 | 82 | 2010 |
| Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9 (1), 1-11, 2008 | 79 | 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 | 74 | 2011 |
| 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 | 73 | 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 | 66 | 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), 1-12, 2009 | 65 | 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 | 64 | 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 | 56 | 2015 |
| The LCB data warehouse A Ameur, V Yankovski, S Enroth, O Spjuth, J Komorowski Bioinformatics 22 (8), 1024-1026, 2006 | 51 | 2006 |
| 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 | 50 | 2019 |
| WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013 | 45 | 2013 |
| 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 |
| 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 | 38 | 2014 |
| 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 | 37 | 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 | 34 | 2011 |
| 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 | 33 | 2019 |
Egon WillighagenAssistant Professor at BiGCaT, NUTRIM, Maastricht University The Netherlands, ORCID:0000-0001-7542Verified email at maastrichtuniversity.nl
