| 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 | 490 | 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 | 203 | 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 | 197 | 2019 |
| Towards reproducible computational drug discovery N Schaduangrat, S Lampa, S Simeon, MP Gleeson, O Spjuth, ... Journal of cheminformatics 12, 1-30, 2020 | 175 | 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 | 156 | 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 | 155 | 2013 |
| 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 | 114 | 2021 |
| 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 |
| 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 |
| 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 | 91 | 2015 |
| Proteochemometric modeling of HIV protease susceptibility M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg BMC bioinformatics 9, 1-11, 2008 | 91 | 2008 |
| 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 | 85 | 2013 |
| 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 | 77 | 2021 |
| 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 | 76 | 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, 1-5, 2009 | 75 | 2009 |
| WhichCyp: prediction of cytochromes P450 inhibition M Rostkowski, O Spjuth, P Rydberg Bioinformatics 29 (16), 2051-2052, 2013 | 73 | 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 | 70 | 2018 |
| 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 | 69 | 2021 |
| 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 |
| Container-based bioinformatics with Pachyderm JA Novella, P Emami Khoonsari, S Herman, D Whitenack, M Capuccini, ... Bioinformatics 35 (5), 839-846, 2019 | 67 | 2019 |
Jonathan AlvarssonUppsala University確認したメール アドレス: farmbio.uu.se
