2021
Approaches for containerized scientific workflows in cloud environments with applications in life science.
F1000Research, 2021

2020
Towards reproducible computational drug discovery.
J. Cheminformatics, 2020

2019
SciPipe - Turning Scientific Workflows into Computer Programs.
Comput. Sci. Eng., 2019

2018
Reproducible Data Analysis in Drug Discovery with Scientific Workflows and the Semantic Web.
PhD thesis, 2018

A confidence predictor for logD using conformal regression and a support-vector machine.
J. Cheminformatics, 2018

2017
RDFIO: extending Semantic MediaWiki for interoperable biomedical data management.
J. Biomed. Semant., 2017

2016
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles.
J. Cheminformatics, 2016

Large-scale ligand-based predictive modelling using support vector machines.
J. Cheminformatics, 2016

2011
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
J. Biomed. Semant., 2011