Text · dataset · 2015
Bioactive compound classes from ChEMBL20 for molecular hierarchy
Listed in Zenodo
Compound structure, scaffold, and CSK of 78,150 (all) and 54,042 (only compounds with a scaffold shared by at least one another compound) compounds, respectively, are provided herein.
Description
In addition, each compound is annotated with target and potency information.
Links
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Where it is published
- Zenodo record zenodo.org/records/17413 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.17413 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/17413 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Medicinal and biomolecular chemistry 74%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 17413 | 13 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · Zenodo | connector:zenodo@1.0.0 | /metadata/access_right |
| byte_size | source · Zenodo | connector:zenodo@1.0.0 | |
| concepts[field].anzsrc:group:3404 | enrichment · Zenodo | taxonomy-embedding@1.1.0 | title+keywords+description (74%) |
| created_date | source · Zenodo | connector:zenodo@1.0.0 | |
| description | source · Zenodo | connector:zenodo@1.0.0 | /metadata/description |
| license_text | source · Zenodo | connector:zenodo@1.0.0 | |
| publication_date | source · Zenodo | connector:zenodo@1.0.0 | |
| title | source · Zenodo | connector:zenodo@1.0.0 | /metadata/title |
| updated_date | source · Zenodo | connector:zenodo@1.0.0 |