Data · dataset · 2013
USRCAT virtual screening results for compound OSM-S-35 against small molecules in the PDB.
Listed in DataCite
Description
USRCAT search with one of the OSDD Malaria compounds, OSM-S-35 . The SMILES strings were obtained by using chemicalize.org on the relevant OSDD blog post (malaria.ourexperiment.org/biological_data/6734/Biological_Activities_of_OSMS106_through_116.html). Two isomers were found for OSM-S-35 and a conformer generated for each with OpenEye's OMEGA toolkit.
Links
Where it is published
- Repository landing page figshare.com/articles/dataset/USRCAT_virtual_screening_results_for_compound… ↗
landing page · from DataCite
- Repository landing page figshare.com/articles/dataset/USRCAT_virtual_screening_results_for_compound… ↗
landing page · from DataCite
- DOI doi.org/10.6084/m9.figshare.639956 ↗
DOI / persistent id · from DataCite
- DOI doi.org/10.6084/m9.figshare.639956.v1 ↗
DOI / persistent id · from DataCite
Documentation and papers
Catalogue records · 4
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.639956.v1 ↗
metadata API · from DataCite
- DataCite API api.datacite.org/dois/10.6084/m9.figshare.639956 ↗
metadata API · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.639956.v1 ↗
catalogue entry · from DataCite
- DataCite Commons commons.datacite.org/doi.org/10.6084/m9.figshare.639956 ↗
catalogue entry · from DataCite
Topics
- Stated by source
- Computer and information sciences · Computer and information sciences · Health sciences · Health sciences
Provenance · 2 source records, 12 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| DataCite | 10.6084/m9.figshare.639956 | 14 d ago | JSON v1 |
| DataCite | 10.6084/m9.figshare.639956.v1 | 14 d ago | JSON v1 |
| Field | Assertion | Extractor | Evidence |
|---|---|---|---|
| access_level | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| byte_size | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:computer-and-information-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:computer-and-information-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:health-sciences | source · DataCite | connector:datacite@1.0.0 | |
| concepts[field].fos:health-sciences | source · DataCite | connector:datacite@1.0.0 | |
| created_date | source · DataCite | connector:datacite@1.0.0 | |
| description | source · DataCite | connector:datacite@1.0.0 | /data/attributes/descriptions |
| license | source · DataCite | connector:datacite@1.0.0 | /data/attributes/rightsList |
| publication_date | source · DataCite | connector:datacite@1.0.0 | /data/attributes/dates |
| title | source · DataCite | connector:datacite@1.0.0 | /data/attributes/titles/0/title |
| updated_date | source · DataCite | connector:datacite@1.0.0 |