Jonathan Alvarsson

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

Egon Willighagen, John W. Mayfield, Jonathan Alvarsson et al. · Journal of Cheminformatics · 2017 · 566 citations · Full text

Predicting With Confidence: Using Conformal Prediction in Drug Discovery

Jonathan Alvarsson, Staffan Arvidsson, Ulf Norinder et al. · Journal of Pharmaceutical Sciences · 2020 · 107 citations · Full text

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

Noel M. O’Boyle, Rajarshi Guha, Egon Willighagen et al. · Journal of Cheminformatics · 2011 · 96 citations · Full text

Bioclipse 2: A scriptable integration platform for the life sciences

Ola Spjuth, Jonathan Alvarsson, Arvid Berg et al. · BMC Bioinformatics · 2009 · 60 citations · Full text

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

Maris Lapins, Staffan Arvidsson, Samuel Lampa et al. · Journal of Cheminformatics · 2018 · 60 citations · Full text