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ORCIDJonathan Alvarsson
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Journal Articles
- 2024
[j17]Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth:
CPSign: conformal prediction for cheminformatics modeling. J. Cheminformatics 16(1): 75 (2024)- 2020
- [j16]Laeeq Ahmed
, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth:
Predicting target profiles with confidence as a service using docking scores. J. Cheminformatics 12(1): 62 (2020) - 2019
- [j15]Samuel Lampa, Martin Dahlö, Jonathan Alvarsson, Ola Spjuth:
SciPipe - Turning Scientific Workflows into Computer Programs. Comput. Sci. Eng. 21(3): 109-113 (2019) - 2018
- [j14]Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth:
A confidence predictor for logD using conformal regression and a support-vector machine. J. Cheminformatics 10(1): 17:1-17:10 (2018) - [j13]Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth:
Evaluating parameters for ligand-based modeling with random forest on sparse data sets. J. Cheminformatics 10(1): 49:1-49:10 (2018) - 2017
- [j12]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 33:1-33:19 (2017) - [j11]Egon L. Willighagen, John W. Mayfield, Jonathan Alvarsson, Arvid Berg, Lars Carlsson, Nina Jeliazkova, Stefan Kuhn, Tomás Pluskal, Miquel Rojas-Chertó, Ola Spjuth, Gilleain M. Torrance, Chris T. A. Evelo, Rajarshi Guha, Christoph Steinbeck:
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching. J. Cheminformatics 9(1): 53 (2017) - 2016
- [j10]Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth:
Large-scale ligand-based predictive modelling using support vector machines. J. Cheminformatics 8(1): 39:1-39:9 (2016) - [j9]Samuel Lampa, Jonathan Alvarsson, Ola Spjuth:
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles. J. Cheminformatics 8(1): 67:1-67:12 (2016) - 2015
- [j8]Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson, Ola Spjuth:
Scaling Predictive Modeling in Drug Development with Cloud Computing. J. Chem. Inf. Model. 55(1): 19-25 (2015) - 2014
- [j7]Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson, Jarl E. S. Wikberg, Tobias Noeske:
Ligand-Based Target Prediction with Signature Fingerprints. J. Chem. Inf. Model. 54(10): 2647-2653 (2014) - [j6]Jonathan Alvarsson, Martin Eklund, Claes R. Andersson, Lars Carlsson, Ola Spjuth, Jarl E. S. Wikberg:
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines. J. Chem. Inf. Model. 54(11): 3211-3217 (2014) - 2013
- [j5]Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund:
Bioclipse-R: integrating management and visualization of life science data with statistical analysis. Bioinform. 29(2): 286-289 (2013) - 2011
- [j4]Egon L. Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa, Maris Lapins, Ola Spjuth, Jarl E. S. Wikberg:
Linking the Resource Description Framework to cheminformatics and proteochemometrics. J. Biomed. Semant. 2(S-1): S6 (2011) - [j3]Jonathan Alvarsson, Claes R. Andersson, Ola Spjuth, Rolf Larsson, Jarl E. S. Wikberg:
Brunn: An open source laboratory information system for microplates with a graphical plate layout design process. BMC Bioinform. 12: 179 (2011) - [j2]Noel M. O'Boyle, Rajarshi Guha, Egon L. Willighagen, Sam E. Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V. Filippov, Robert M. Hanson, Marcus D. Hanwell, Geoffrey R. Hutchison, Craig A. James, Nina Jeliazkova, Andrew S. I. D. Lang, Karol M. Langner, David C. Lonie, Daniel M. Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L. Tenderholt, Kevin J. Theisen, Peter Murray-Rust:
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on. J. Cheminformatics 3: 37 (2011) - 2009
- [j1]Ola Spjuth, Jonathan Alvarsson, Arvid Berg, Martin Eklund, Stefan Kuhn, Carl Mäsak, Gilleain M. Torrance, Johannes Wagener, Egon L. Willighagen, Christoph Steinbeck, Jarl E. S. Wikberg:
Bioclipse 2: A scriptable integration platform for the life sciences. BMC Bioinform. 10: 397 (2009)
Coauthor Index
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