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Biological LC/MS Preprocessing and Analysis with jABC, jETI and xcms

Christian Kubczak · Tiziana Margaria · Arno Fritsch · Bernhard Steffen

16 citations0/0 files storedLeveraging Applications of Formal Methods

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Scientific Computing and Data Management Distributed and Parallel Computing Systems Metabolomics and Mass Spectrometry Studies

Abstract

LC/MS is a successful analysis technique for the statistical analysis used in several branches of biology. It requires an intense screening and combination of the raw data, which is usually done with programs and libraries invoked by scripts in the domain-specific statistics language S or R. We show here how to model and implement this complex workflow in a service-oriented fashion, using the jABC service definition environment and jETI for remote service integration and execution.

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2006Model-based design of distributed collaborative bioinformatics processes in the jABC

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2016Scientific workflows with the jABC framework 2009Semantics-Based Composition of EMBOSS Services with Bio-jETI.

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