Approaches for containerized scientific workflows in cloud environments with applications in life science.
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F1000Research, 2021
Towards reproducible computational drug discovery.
J. Cheminformatics, 2020
SciPipe - Turning Scientific Workflows into Computer Programs.
Comput. Sci. Eng., 2019
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
RDFIO: extending Semantic MediaWiki for interoperable biomedical data management.
J. Biomed. Semant., 2017
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
Linking the Resource Description Framework to cheminformatics and proteochemometrics.
J. Biomed. Semant., 2011