Data · dataset · 2025
euroSAMPL1 challenge data and analysis
Listed in TUDOdata
Description
This dataset contains following subfolders: Compounds: The compounds for which the pKa value had to be predicted Experimental_data: Data from Sirius T3 measurements Template: Empty submission template as supplied to participants Submissions: Metadata, submitted values and optional raw data supplied by the participants and their individual evaluation Analysis: Statistical analysis of all submissions
Links
Where it is published
- Dataverse dataset page data.tu-dortmund.de/dataset.xhtml?persistentId=doi%3A10.17877%2FTUDODATA-2025-M6KP… ↗
landing page · from data tu dortmund de
- DOI doi.org/10.17877/tudodata-2025-m6kpzzgr ↗
DOI / persistent id · from data tu dortmund de
Catalogue records · 1
- Dataverse API data.tu-dortmund.de/api/datasets/:persistentId/?persistentId=doi%3A10.17877%2FTUDO… ↗
metadata API · from data tu dortmund de
Topics
- Stated by source
- Chemistry
- From keywords
- Chemistry · Engineering · Humanities · Mathematics & Statistics · Social Science
- Inferred from text
- Medicinal and biomolecular chemistry 71%
Related
- Possibly the same aseuroSAMPL1 challenge data and analysis
Provenance · 1 source records, 13 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| TUDOdata | doi:10.17877/TUDODATA-2025-M6KPZZGR | 12 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| concepts[field].anzsrc:group:3404 | enrichment · data tu dortmund de | taxonomy-embedding@1.0.0 | title+keywords+description (71%) |
| concepts[field].dataverse_subject:chemistry | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:chemistry | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:engineering | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:humanities | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:mathematics-statistics | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| concepts[field].local:field:social-science | mapping · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /subjects |
| created_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| description | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /description |
| publication_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| title | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | /name |
| updated_date | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 | |
| version_label | source · data tu dortmund de | connector:data_tu_dortmund_de@1.0.0 |