chembl-drug-data-dump
Uses elasticsearch to query data from the ChEMBL (www.ebi.ac.uk/chembl/glados-es) endpoint. Generates a dataset of all related chemical targets (drugs) for a given set of compounds, where the targets have some given constraints on their bioactivities.
Science Score: 67.0%
This score indicates how likely this project is to be science-related based on various indicators:
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✓CITATION.cff file
Found CITATION.cff file -
✓codemeta.json file
Found codemeta.json file -
✓.zenodo.json file
Found .zenodo.json file -
✓DOI references
Found 3 DOI reference(s) in README -
✓Academic publication links
Links to: zenodo.org -
○Academic email domains
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○Institutional organization owner
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○JOSS paper metadata
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○Scientific vocabulary similarity
Low similarity (6.3%) to scientific vocabulary
Repository
Uses elasticsearch to query data from the ChEMBL (www.ebi.ac.uk/chembl/glados-es) endpoint. Generates a dataset of all related chemical targets (drugs) for a given set of compounds, where the targets have some given constraints on their bioactivities.
Basic Info
- Host: GitHub
- Owner: Luca-spopo
- License: mit
- Language: Python
- Default Branch: master
- Size: 565 KB
Statistics
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
- Releases: 1
Metadata Files
README.md
ChEMBL-drug-data-dump
Uses elasticsearch to query data from the ChEMBL (www.ebi.ac.uk/chembl/glados-es) endpoint. Generates a dataset of all related chemical targets (drugs) for a given set of compounds, where the targets have some given constraints on their bioactivities.
How to cite
Please cite this software using https://zenodo.org/badge/latestdoi/224117697 if you want to use it for your research. The linked page offers conversion to various citation formats.
For example, to cite release v1.0 using BibTex, use
@article{anirudh "luca" katoch_2019, title={Luca-spopo/ChEMBL-drug-data-dump: 25 Nov 2019}, DOI={10.5281/zenodo.3553421}, abstractNote={<p>Initial release, data collected from ChEMBL on 25th Nov 2019</p>}, publisher={Zenodo}, author={Anirudh "Luca" Katoch}, year={2019}, month={Nov}}
or plain text:
Anirudh "Luca" Katoch. (2019, November 26). Luca-spopo/ChEMBL-drug-data-dump: 25 Nov 2019 (Version v1.0). Zenodo. http://doi.org/10.5281/zenodo.3553421
Owner
- Name: Anirudh "Luca" Katoch
- Login: Luca-spopo
- Kind: user
- Location: India
- Website: luca-spopo.github.io
- Repositories: 2
- Profile: https://github.com/Luca-spopo
Adores @bollu
Citation (CITATION.cff)
# YAML 1.2
---
abstract: "Uses elasticsearch to query data from the ChEMBL (www.ebi.ac.uk/chembl/glados-es) endpoint. Generates a dataset of all related chemical targets (drugs) for a given set of compounds, where the targets have some given constraints on their bioactivities."
authors:
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family-names: Katoch
given-names: Anirudh
cff-version: "1.1.0"
doi: "10.5281/zenodo.3553421"
date-released: 2019-11-26
message: "If you use this software, please cite it using these metadata."
repository-code: "https://github.com/Luca-spopo/ChEMBL-drug-data-dump"
title: "ChEMBL-drug-data-dump"
version: "1.0"
...