Data · dataset · 2014
Drug-unique scaffolds
Listed in Zenodo
A list of 221 drug-unique scaffolds that represented approved drugs but were not detected in currently available bioactive compounds is provided.
Description
For each scaffold, the corresponding approved drug(s) are listed with their IDs in DrugBank and names. The structures of scaffolds and drugs are provided in canonical SMILES representation.
Links
Get the data
Where it is published
- Zenodo record zenodo.org/records/8358 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.8358 ↗
DOI / persistent id · from Zenodo
Documentation and papers
- IsSupplementTo 10.1016/j.ejmech.2014.02.040 doi.org/10.1016/j.ejmech.2014.02.040 ↗
publication · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/8358 ↗
metadata API · from Zenodo
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 8358 | 15 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 |