Archive · dataset · 2015
ChEMBL20 data sets for multi-property landscape analysis
Listed in Zenodo
Six data sets from ChEMBL (version 20) are provided with their ChEMBLID, SMILES (in SMILES.zip) and descriptor values (Properties.zip).
Description
Additionally, the coordinates of compounds and property axes displayed in the linked article are given (Coordinates.zip).
Links
Get the data
- Properties.zip zenodo.org/api/records/21782/files/Properties.zip/content ↗
download · from Zenodo
- Coordinates.zip zenodo.org/api/records/21782/files/Coordinates.zip/content ↗
download · from Zenodo
- SMILES.zip zenodo.org/api/records/21782/files/SMILES.zip/content ↗
download · from Zenodo
Where it is published
- Zenodo record zenodo.org/records/21782 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.21782 ↗
DOI / persistent id · from Zenodo
Documentation and papers
- IsSupplementTo 10.1007/s10822-015-9862-3 doi.org/10.1007/s10822-015-9862-3 ↗
publication · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/21782 ↗
metadata API · from Zenodo
Provenance · 1 source records, 8 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 21782 | 12 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 |