Archive · dataset · 2015
Drug scaffolds and their structural relationships
Listed in Zenodo
A list of 779 scaffolds extracted from approved drugs is provided.
Description
For each scaffold, the number of approved drugs it represented, the number and the list of targets it was annotated with and the SMILES representation is given. In addition, pairs of drug scaffolds that formed substructure, CSK equivalence, MMP and RECAP-MMP relationships are provided in separate files.
Furthermore, drug scaffold pairs that displayed distinct activity profiles and formed one or more types of structural relationships are given.
Links
Get the data
Where it is published
- Zenodo record zenodo.org/records/14947 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.14947 ↗
DOI / persistent id · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/14947 ↗
metadata API · from Zenodo
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 14947 | 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 | |
| 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 |