compound_target_pairs_dataset
importeddata/compound-target-pairs-dataset
Automatic extraction of interacting compound-target pairs from ChEMBL.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Data & Standards
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- chembl
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- chembl · cheminformatics · chemistry · chemoinformatics · dataset · drug-target-interactions · drug-targets · python
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- pharmOncoXdrug-target-interactions · drug-targets
Targeted and non-targeted anticancer drugs and drug regimens
- chembl-downloaderchembl · cheminformatics
Write reproducible code for getting and processing ChEMBL
- lindemanncheminformatics · chemistry · chemoinformatics
lindemann is a python package to calculate the Lindemann index of a lammps trajectory
- psikitcheminformatics · chemistry · chemoinformatics
psi4+RDKit
- pubchempropscheminformatics · chemistry · chemoinformatics
A convenient wrapper around PubChem PUG REST API that allows to search for many compound properties available at PubChem with ease
- scikit-fingerprintscheminformatics · chemistry · chemoinformatics
Scikit-learn compatible library for molecular fingerprints and chemoinformatics
- api.github.com/repos/chembl/compound_target_pairs_datasetretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2025-09-23, 22 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/51.json→ .entries["compound-target-pairs-dataset"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.