RepoRT Meta-analysis: Retention Time and Compound Data with PCA Results

A Julia-based analytical pipeline and processed data for a meta-analysis of retention time and chemical compound data from the RepoRT repository. The dataset, created by Lapo Renai and last updated in April 2026, includes molecular descriptors, refined retention times, method metadata, and serialized PCA results. It is 613.7 MB in size and contains CSV and JLD2 files.

Use Cases

• Perform statistical meta-analysis based on compiled method metadata and retention time data.
• Conduct chemical space exploration based on molecular descriptors from CompTox entries.
• Evaluate inter-method variance based on PCA results grouped by experimental methodology.
• Compare chemical coverage between RepoRT and CompTox databases based on the final processed PCA data.

Strengths

• Includes multiple structured data files (CSV, JLD2) totaling 613.7 MB, suggesting substantial processed content.
• Contains serialized Julia objects (JLD2 files) for PCA scores and loadings, facilitating reproducible analysis.
• The pipeline and data are associated with the public RepoRT repository, providing a traceable origin.

Limitations

• Row count is unknown, which may limit suitability assessment.
• Column-level documentation is absent; field semantics must be inferred after download.
• Description metadata is limited; actual data quality requires manual inspection after download.

Provenance

Source

Processed from data imported from https://github.com/michaelwitting/RepoRT.

Collection Method

Analytical pipeline for data cleaning, statistical meta-analysis, and visualization, implemented in Julia.

Freshness

Last updated 2026-04-28 10:54:38; freshness should be verified.