WOMBAT-P: Benchmarking Label-Free Proteomics Data Analysis Workflows.

The inherent diversity of approaches in proteomics research has led to a wide range of software solutions for data analysis. These software solutions encompass multiple tools, each employing different algorithms for various tasks such as peptide-spectrum matching, protein inference, quantification, statistical analysis, and visualization. To enable an unbiased comparison of commonly used bottom-up label-free proteomics workflows, we introduce WOMBAT-P, a versatile platform designed for automated benchmarking and comparison. WOMBAT-P simplifies the processing of public data by utilizing the sample and data relationship format for proteomics (SDRF-Proteomics) as input. This feature streamlines the analysis of annotated local or public ProteomeXchange data sets, promoting efficient comparisons among diverse outputs. Through an evaluation using experimental ground truth data and a realistic biological data set, we uncover significant disparities and a limited overlap in the quantified proteins. WOMBAT-P not only enables rapid execution and seamless comparison of workflows but also provides valuable insights into the capabilities of different software solutions. These benchmarking metrics are a valuable resource for researchers in selecting the most suitable workflow for their specific data sets. The modular architecture of WOMBAT-P promotes extensibility and customization. The software is available at https://github.com/wombat-p/WOMBAT-Pipelines.

Co-occurrence patterns in diagnostic data.

We demonstrate how graph decomposition techniques can be employed for the visualization of hierarchical co-occurrence patterns between medical data items. Our research is based on Gaifman graphs (a mathematical concept introduced in Logic), on specific variants of this concept, and on existing graph decomposition notions, specifically, graph modules and the clan decomposition of so-called 2-structures. The construction of the Gaifman graphs from a dataset is based on co-occurrence, or lack of it, of items in the dataset. We may select a discretization on the edge labels to aim at one among several Gaifman graph variants. Then, the decomposition of the graph may provide us with visual information about the data co-occurrences, after which one can proceed to more traditional statistical analysis.