ODO-DP Project — Summary Description of Deposited Resources

README — ODO-DP Project — Summary Description of Deposited Resources Overview This README provides an integrated overview of the data, workflows, and supporting documentation deposited as part of the Opioid Drug Ontology Data Portal (ODO-DP) v1.0 release. The complete collection is archived on Zenodo under a single DOI and distributed as a ZIP archive containing three primary resource folders: KNIME Workflows, ODO Tables, and ODO Documents, together with this top-level README. The ODO-DP dataset integrates 37,362 curated bioactivity data points across 13,350 unique compounds, 68 assays, and 12 opioid-relevant protein targets. Data were curated from ChEMBL and peer-reviewed scientific publications using standardized procedures to resolve inconsistencies in assay metadata, biological-system annotation, compound–target mapping, and related experimental information. The ODO-DP website provides an interactive interface for searching and filtering these data at opioiddrugontology.org. For reference within the accompanying manuscript, tabular data resources are designated as Zenodo Tables (Z-Tables) and supporting methodological and analytical documents as Zenodo Documents (Z-Docs). These designations facilitate cross-reference between the manuscript and deposited resources. All files described below are components of the same ODO-DP v1.0 Zenodo archive and are accessible through the single version-specific DOI. Archive Organization ODO-DP_v1.0/ │ ├── 1. KNIME Workflows/ │ ├── 2. ODO Tables/ │ ├── 3. ODO Documents/ │ └── ODO-DP_README_Summary.pdf 1. KNIME Workflows This folder contains reproducible KNIME Analytics Platform workflows documenting key data-processing procedures used during preparation of ODO-DP. The deposited workflows cover major operations including initial ChEMBL activity-data filtering, assay-description text mining, dataset integrity verification, and final dataset column selection and ordering. Representative input and output files and workflow-specific documentation are included where applicable to support reproducibility and adaptation to related bioactivity datasets. 2. ODO Tables This folder contains the primary ODO-DP dataset and associated tabular data records used to document dataset composition, processing, quality assessment, database organization, and UI mapping. These resources include the final curated ODO-DP dataset, dataset statistics, ChEMBL activity-aggregation data and audit information, trending-error analyses of curated data subsets, ODO-DP database tables and primary-key information, and column mapping and UI-view documentation. The Z-Table designations used in the manuscript correspond to files contained within this folder. 3. ODO Documents This folder contains supporting documentation describing methodological procedures, error analyses, and limitations associated with the curation and processing of ODO-DP data. These documents provide additional detail beyond that included in the manuscript and support interpretation and reproducibility of the deposited data resources. The Z-Doc designations used in the manuscript correspond to files contained within this folder. ODO-DP README Summary ODO-DP_README_Summary.pdf is the top-level guide to the deposited ODO-DP v1.0 resources. It describes the organization, scope, and purpose of the materials contained within the ZIP archive and provides a centralized reference for locating the associated datasets, workflows, and supporting documentation. Provenance All datasets were generated from publicly accessible sources, including ChEMBL and peer-reviewed scientific publications. Data underwent expert curation and standardized processing to resolve inconsistencies in assay metadata, harmonize biological-system annotations, standardize compound and target information, and incorporate ontology-aligned terminology where applicable. The deposited workflows, tables, and supporting documents collectively provide provenance and methodological documentation for the ODO-DP v1.0 release. Access and Version Information Access Rights: Open AccessLicense: Creative Commons Attribution 4.0 International (CC BY 4.0)Version: v1.0Zenodo DOI: https://doi.org/10.5281/zenodo.17624660 Keywords ODO-DP; FAIR data; opioid receptors; opioid pharmacology; bioactivity curation; assay metadata; ontology alignment; ChEMBL; metadata harmonization; opioid drug discovery; computational drug discovery; structured datasets Contributors Nicolette Ross — CuratorStephan Schürer — Principal Investigator / AdvisorKristina Jagodnik — Project Advisor / EditorLukas Rupprecht — Data ArchitectureRitik Bhandari — Data ArchitectureAlon Bartal — Principal Investigator / AdvisorAbigail Tan — Intern / CuratorAlfred Akomeah — Intern / CuratorMaja Czerwinska — Intern / Curator Citation Ross, N., Schürer, S., Jagodnik, K., Rupprecht, L., Bhandari, R., Bartal, A., Tan, A., Akomeah, A., & Czerwinska, M. (2026). ODO-DP Project — Summary Description of Deposited Resources (v1.0). Zenodo. https://doi.org/10.5281/zenodo.17624660