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.
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Official Python client for accessing ChEMBL API
- mandoschembl · cheminformatics · drug-target-interactions
Fetch pharmacological knowledge on chemical compounds and squeeze it into semantic triples. For analysis of chemical screens and training and evaluation of algorithms.
- pharmOncoXdrug-target-interactions · drug-targets
Targeted and non-targeted anticancer drugs and drug regimens
- NoiseEstimatorcheminformatics · chemistry · dataset
Estimate maximum performance bounds based on experimental errors for ML datasets
- DeepECGchemoinformatics · dataset
ECG classification programs based on ML/DL methods
- fpembedcheminformatics · chemistry · chemoinformatics
FPembed - Generalized Molecular Fingerprint Embeddings
- 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.