Automated Composition of Scientific Workflows in Mass Spectrometry-Based Proteomics

Numerous software utilities operating on mass spectrometry (MS) data are described in the literature that provide specific operations as building blocks for the assembly of purposespecific workflows. Working out which tools and combinations are applicable or optimal is often hard: insufficient annotation of tool functions and interfaces impedes finding viable tool combinations, and potentially compatible tools may not, in practice, operate together. Thus researchers face difficulties in selecting practical and effective data analysis pipelines for a specific experimental design.