Jonathan Alvarsson

According to our database, Jonathan Alvarsson authored at least 17 papers between 2009 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

CPSign: conformal prediction for cheminformatics modeling.

Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson, Ola Spjuth

J. Cheminformatics, December, 2024

2020

Predicting target profiles with confidence as a service using docking scores.

Laeeq Ahmed, Hiba Alogheli, Staffan Arvidsson McShane, Jonathan Alvarsson, Arvid Berg, Anders Larsson, Wesley Schaal, Erwin Laure, Ola Spjuth

J. Cheminformatics, 2020

2019

SciPipe - Turning Scientific Workflows into Computer Programs.

Samuel Lampa, Martin Dahlö, Jonathan Alvarsson, Ola Spjuth

Comput. Sci. Eng., 2019

2018

A confidence predictor for logD using conformal regression and a support-vector machine.

Maris Lapins, Staffan Arvidsson, Samuel Lampa, Arvid Berg, Wesley Schaal, Jonathan Alvarsson, Ola Spjuth

J. Cheminformatics, 2018

Evaluating parameters for ligand-based modeling with random forest on sparse data sets.

Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth

J. Cheminformatics, 2018

2017

Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

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

J. Cheminformatics, 2017

The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.

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

J. Cheminformatics, 2017

2016

Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.

Samuel Lampa, Jonathan Alvarsson, Ola Spjuth

J. Cheminformatics, 2016

Large-scale ligand-based predictive modelling using support vector machines.

Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes R. Andersson, Jarl E. S. Wikberg, Ola Spjuth

J. Cheminformatics, 2016

2015

Scaling Predictive Modeling in Drug Development with Cloud Computing.

Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson, Ola Spjuth

J. Chem. Inf. Model., 2015

2014

Ligand-Based Target Prediction with Signature Fingerprints.

Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson, Jarl E. S. Wikberg, Tobias Noeske

J. Chem. Inf. Model., 2014

Benchmarking Study of Parameter Variation When Using Signature Fingerprints Together with Support Vector Machines.

Jonathan Alvarsson, Martin Eklund, Claes R. Andersson, Lars Carlsson, Ola Spjuth, Jarl E. S. Wikberg

J. Chem. Inf. Model., 2014

2013

Bioclipse-R: integrating management and visualization of life science data with statistical analysis.

Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg, Egon L. Willighagen, Jarl E. S. Wikberg, Martin Eklund

Bioinform., 2013

2011

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.

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

J. Cheminformatics, 2011

Brunn: An open source laboratory information system for microplates with a graphical plate layout design process.

Jonathan Alvarsson, Claes R. Andersson, Ola Spjuth, Rolf Larsson, Jarl E. S. Wikberg

BMC Bioinform., 2011

Linking the Resource Description Framework to cheminformatics and proteochemometrics.

Egon L. Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa, Maris Lapins, Ola Spjuth, Jarl E. S. Wikberg

J. Biomed. Semant., 2011

2009

Bioclipse 2: A scriptable integration platform for the life sciences.

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

BMC Bioinform., 2009