DrugMatrix FAIR Update — Curated In Vitro Bioactivity Dataset and Supporting Data Records (Z-Tables and Z-Docs)

Title:

DrugMatrix FAIR Update — Curated In Vitro Bioactivity Dataset and Supporting Data Records

Description:

This dataset contains the complete set of curated data records generated as part of the DrugMatrix FAIR Update Project, including the finalized DrugMatrix in vitro pharmacological dataset and all supporting tables and documents used for assay curation, metadata standardization, and target verification.

The primary dataset (Z-Table 1) comprises the curated DrugMatrix in vitro bioactivity dataset, integrating assay descriptions, target annotations, compound activity data, and source references. Additional Z-Tables provide supporting data records, including curated assay descriptions, reference assay protocols from historical DrugMatrix sources (e.g., Eurofins Panlabs, MDS Pharma Services, Ricerca Biosciences), target mapping and verification tables, and detailed curation summaries.

Supporting documents (Z-Doc 1 and Z-Doc 2) are provided in PDF format and include a summary description of deposited data records and extended methodological details for target verification and NTP gene alignment.

Multi-table data records are provided as Excel (.xlsx) files containing multiple worksheets (e.g., Z-Tables 4.1–4.3, 9.1–9.2, 10.1–10.4, and 11.1–11.2), where each worksheet corresponds to a specific component of the data record (e.g., final curation, metadata curation, original dataset, or column-level comparison). Each file includes a dedicated README worksheet describing the structure and contents of the tables.

All data are UTF-8 compliant, and empty cells are intentionally preserved to maintain data integrity and ensure compatibility with downstream computational workflows.

Provenance:

Data were curated from publicly available resources and historical DrugMatrix assay documentation, including Eurofins Panlabs assay protocols (archival), Eurofins Discovery assay descriptions, MDS Pharma Services protocols, Ricerca Biosciences assay documentation, and publicly accessible databases such as ChEMBL and PubChem.

Assay descriptions, target assignments, and metadata annotations were manually curated and standardized using established ontologies, including the BioAssay Ontology (BAO), BRENDA Tissue Ontology (BTO), Uber-Anatomy Ontology (UBERON), and Cellosaurus. All source references are provided within the dataset tables and in the manuscript.

License:

Creative Commons Attribution 4.0 International (CC BY 4.0)

Access Rights:

Open Access

Upload Type:

Dataset

Version:

v1.0

Keywords:

DrugMatrix; FAIR data; bioassay curation; pharmacology; ontology alignment; target annotation; toxicogenomics; ChEMBL; PubChem

Contributors (Authors):

Nicolette Ross — Lead CuratorStephan Schürer — Principal Investigator / AdvisorKristina Jagodnik — Project Consultant / EditorTudor Oprea — Curator / Project Consultant