Jonathan Alvarsson

17 papers Journal 17
YearRankTypeTitle / Venue / Authors
2024 J jnl
CPSign: conformal prediction for cheminformatics modeling.
J. Cheminformatics
Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth
2020 J jnl
Predicting target profiles with confidence as a service using docking scores.
J. Cheminformatics
Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth
2019 J jnl
SciPipe - Turning Scientific Workflows into Computer Programs.
Comput. Sci. Eng.
Samuel Lampa, Martin Dahlö, Jonathan Alvarsson, Ola Spjuth
2018 J jnl
A confidence predictor for logD using conformal regression and a support-vector machine.
J. Cheminformatics
Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth
2018 J jnl
Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
J. Cheminformatics
Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth
2017 J jnl
Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2017 J jnl
The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
J. Cheminformatics
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
2016 J jnl
Large-scale ligand-based predictive modelling using support vector machines.
J. Cheminformatics
Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth
2016 J jnl
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.
J. Cheminformatics
Samuel Lampa, Jonathan Alvarsson, Ola Spjuth
2015 J jnl
Scaling Predictive Modeling in Drug Development with Cloud Computing.
J. Chem. Inf. Model.
Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson, Ola Spjuth
2014 J jnl
Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines.
J. Chem. Inf. Model.
Jonathan Alvarsson, Martin Eklund, Claes R. Andersson, Lars Carlsson, Ola Spjuth, Jarl E. S. Wikberg
2014 J jnl
Ligand-Based Target Prediction with Signature Fingerprints.
J. Chem. Inf. Model.
Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson, Jarl E. S. Wikberg, Tobias Noeske
2013 J jnl
Bioclipse-R: integrating management and visualization of life science data with statistical analysis.
Bioinform.
Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund
2011 J jnl
Brunn: An open source laboratory information system for microplates with a graphical plate layout design process.
BMC Bioinform.
Jonathan Alvarsson, Claes R. Andersson, Ola Spjuth, Rolf Larsson, Jarl E. S. Wikberg
2011 J jnl
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
J. Biomed. Semant.
Egon L. Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa, Maris Lapins, Ola Spjuth, Jarl E. S. Wikberg
2011 J jnl
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
J. Cheminformatics
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
2009 J jnl
Bioclipse 2: A scriptable integration platform for the life sciences.
BMC Bioinform.
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