Archive · dataset · 2014
Programs for chemoinformatics and computational medicinal chemistry
Listed in Zenodo
Description
Programs provided herein are a part of a freely available database of annotated compound data sets and software tools developed in our laboratory for chemoinformatics and computational medicinal chemistry. The original release is described in the following article: Hu Y, Bajorath J: Freely available compound data sets and software tools for chemoinformatics and computational medicinal chemistry applications [v1; ref status: indexed, f1000r.es/Mu9krs] F1000Research 2012; 1:11 (doi: 10.12688/f1000research.1-11.v1).
The updated version containing the data provided herein will be described in a forthcoming data note in F1000Research .
Links
Get the data
- PROG_5.zip zenodo.org/api/records/8451/files/PROG_5.zip/content ↗
download · from Zenodo
- PROG_1.zip zenodo.org/api/records/8451/files/PROG_1.zip/content ↗
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- PROG_7.zip zenodo.org/api/records/8451/files/PROG_7.zip/content ↗
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- PROG_8.zip zenodo.org/api/records/8451/files/PROG_8.zip/content ↗
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- PROG_3.zip zenodo.org/api/records/8451/files/PROG_3.zip/content ↗
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- PROG_2.zip zenodo.org/api/records/8451/files/PROG_2.zip/content ↗
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- PROG_6.zip zenodo.org/api/records/8451/files/PROG_6.zip/content ↗
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- PROG_4.zip zenodo.org/api/records/8451/files/PROG_4.zip/content ↗
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Where it is published
- Zenodo record zenodo.org/records/8451 ↗
landing page · from Zenodo
- DOI doi.org/10.5281/zenodo.8451 ↗
DOI / persistent id · from Zenodo
Documentation and papers
- IsCitedBy 10.12688/f1000research.3979 doi.org/10.12688/f1000research.3979 ↗
publication · from Zenodo
Catalogue records · 1
- Zenodo API zenodo.org/api/records/8451 ↗
metadata API · from Zenodo
Topics
- Inferred from text
- Cheminformatics and quantitative structure-activity relationships 82%
Provenance · 1 source records, 9 field assertions
| Source | Key | Last seen | Raw |
|---|---|---|---|
| Zenodo | 8451 | 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:field:340404 | enrichment · Zenodo | taxonomy-embedding@1.1.0 | title+keywords+description (82%) |
| 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 |