| 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), 33, 2017 | 458 | 2017 |
| 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 | 99 | 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 | 92 | 2021 |
| 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 |
| A confidence predictor for logD using conformal regression and a support-vector machine M Lapins, S Arvidsson, S Lampa, A Berg, W Schaal, J Alvarsson, O Spjuth Journal of cheminformatics 10, 1-10, 2018 | 55 | 2018 |
| Large-scale ligand-based predictive modelling using support vector machines J Alvarsson, S Lampa, W Schaal, C Andersson, JES Wikberg, O Spjuth Journal of cheminformatics 8, 1-9, 2016 | 48 | 2016 |
| Ex vivo assessment of drug activity in patient tumor cells as a basis for tailored cancer therapy K Blom, P Nygren, J Alvarsson, R Larsson, CR Andersson Journal of laboratory automation 21 (1), 178-187, 2016 | 46 | 2016 |
| SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines S Lampa, M Dahlö, J Alvarsson, O Spjuth GigaScience 8 (5), giz044, 2019 | 45 | 2019 |
| 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 | 44 | 2014 |
| Evaluating parameters for ligand-based modeling with random forest on sparse data sets A Kensert, J Alvarsson, U Norinder, O Spjuth Journal of cheminformatics 10 (1), 49, 2018 | 41 | 2018 |
| Benchmarking study of parameter variation when using signature fingerprints together with support vector machines J Alvarsson, M Eklund, C Andersson, L Carlsson, O Spjuth, JES Wikberg Journal of chemical information and modeling 54 (11), 3211-3217, 2014 | 40 | 2014 |
| 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, 1-24, 2011 | 40 | 2011 |
| Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles S Lampa, J Alvarsson, O Spjuth Journal of cheminformatics 8, 1-12, 2016 | 37 | 2016 |
| Predicting off-target binding profiles with confidence using conformal prediction S Lampa, J Alvarsson, S Arvidsson Mc Shane, A Berg, E Ahlberg, ... Frontiers in pharmacology 9, 1256, 2018 | 36 | 2018 |
| In silico prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models U Fagerholm, S Hellberg, J Alvarsson, S Arvidsson McShane, O Spjuth Xenobiotica 51 (12), 1366-1371, 2021 | 20 | 2021 |
| Scaling predictive modeling in drug development with cloud computing BT Moghadam, J Alvarsson, M Holm, M Eklund, L Carlsson, O Spjuth Journal of Chemical Information and Modeling 55 (1), 19-25, 2015 | 18 | 2015 |
| Introduction to pharmaceutical bioinformatics J Wikberg, M Eklund, E Willighagen, O Spjuth, M Lapins, O Engkvist, ... Oakleaf Academic, 2010 | 17 | 2010 |
| In Silico Prediction of Human Clinical Pharmacokinetics with ANDROMEDA by Prosilico: Predictions for an Established Benchmarking Data Set, a Modern Small … U Fagerholm, S Hellberg, J Alvarsson, O Spjuth Alternatives to Laboratory Animals 51 (1), 39-54, 2023 | 13 | 2023 |
| In silico predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology U Fagerholm, S Hellberg, J Alvarsson, O Spjuth Xenobiotica 52 (2), 113-118, 2022 | 13 | 2022 |
| Bioclipse-R: integrating management and visualization of life science data with statistical analysis O Spjuth, V Georgiev, L Carlsson, J Alvarsson, A Berg, E Willighagen, ... Bioinformatics 29 (2), 286-289, 2013 | 13 | 2013 |
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityAdresse e-mail validée de farmbio.uu.se
