Publications by authors named "Jonathan Alvarsson"

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CPSign: conformal prediction for cheminformatics modeling.
Staffan Arvidsson McShane, Ulf Norinder, Jonathan Alvarsson, Ernst Ahlberg, Lars Carlsson

J Cheminform· June 2024

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Prediction of Human Clinical Pharmacokinetics with ANDROMEDA by Prosilico: Predictions for an Established Benchmarking Data Set, a Modern Small Drug Data Set, and a Comparison with Laboratory Methods.
Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson, Ola Spjuth

Altern Lab Anim· January 2023

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In Silico Predictions of the Gastrointestinal Uptake of Macrocycles in Man Using Conformal Prediction Methodology.
Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson, Ola Spjuth

J Pharm Sci· September 2022

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predictions of the human pharmacokinetics/toxicokinetics of 65 chemicals from various classes using conformal prediction methodology.
Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson, Ola Spjuth

Xenobiotica· February 2022

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prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models.
Urban Fagerholm, Sven Hellberg, Jonathan Alvarsson, Staffan Arvidsson McShane, Ola Spjuth

Xenobiotica· December 2021

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Predicting With Confidence: Using Conformal Prediction in Drug Discovery.
Jonathan Alvarsson, Staffan Arvidsson McShane, Ulf Norinder, Ola Spjuth

J Pharm Sci· January 2021

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SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines.
Samuel Lampa, Martin Dahlö, Jonathan Alvarsson, Ola Spjuth

Gigascience· May 2019

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Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction.
Samuel Lampa, Jonathan Alvarsson, Staffan Arvidsson Mc Shane, Arvid Berg, Ernst Ahlberg

Front Pharmacol· November 2018

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Evaluating parameters for ligand-based modeling with random forest on sparse data sets.
Alexander Kensert, Jonathan Alvarsson, Ulf Norinder, Ola Spjuth

J Cheminform· October 2018

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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

J Cheminform· April 2018

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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

J Cheminform· September 2017

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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

J Cheminform· June 2017

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Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.
Samuel Lampa, Jonathan Alvarsson, Ola Spjuth

J Cheminform· November 2016

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Large-scale ligand-based predictive modelling using support vector machines.
Jonathan Alvarsson, Samuel Lampa, Wesley Schaal, Claes Andersson, Jarl E S Wikberg

J Cheminform· August 2016

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Ex Vivo Assessment of Drug Activity in Patient Tumor Cells as a Basis for Tailored Cancer Therapy.
Kristin Blom, Peter Nygren, Jonathan Alvarsson, Rolf Larsson, Claes R Andersson

J Lab Autom· February 2016

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Scaling predictive modeling in drug development with cloud computing.
Behrooz Torabi Moghadam, Jonathan Alvarsson, Marcus Holm, Martin Eklund, Lars Carlsson

J Chem Inf Model· January 2015

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Benchmarking study of parameter variation when using signature fingerprints together with support vector machines.
Jonathan Alvarsson, Martin Eklund, Claes Andersson, Lars Carlsson, Ola Spjuth

J Chem Inf Model· November 2014

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Ligand-based target prediction with signature fingerprints.
Jonathan Alvarsson, Martin Eklund, Ola Engkvist, Ola Spjuth, Lars Carlsson

J Chem Inf Model· October 2014

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Open source drug discovery with bioclipse.
Ola Spjuth, Lars Carlsson, Jonathan Alvarsson, Valentin Georgiev, Egon Willighagen

Curr Top Med Chem· July 2013

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Bioclipse-R: integrating management and visualization of life science data with statistical analysis.
Ola Spjuth, Valentin Georgiev, Lars Carlsson, Jonathan Alvarsson, Arvid Berg

Bioinformatics· January 2013

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Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
Noel M O'Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson

J Cheminform· October 2011

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Brunn: an open source laboratory information system for microplates with a graphical plate layout design process.
Jonathan Alvarsson, Claes Andersson, Ola Spjuth, Rolf Larsson, Jarl E S Wikberg

BMC Bioinformatics· May 2011

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Linking the Resource Description Framework to cheminformatics and proteochemometrics.
Egon L Willighagen, Jonathan Alvarsson, Annsofie Andersson, Martin Eklund, Samuel Lampa

J Biomed Semantics· March 2011

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Bioclipse 2: a scriptable integration platform for the life sciences.
Ola Spjuth, Jonathan Alvarsson, Arvid Berg, Martin Eklund, Stefan Kuhn

BMC Bioinformatics· December 2009

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