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feat: add KD-DTI
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closes #21
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Kevin Maik Jablonka committed May 5, 2023
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Expand Up @@ -73,6 +73,7 @@ Contributions are very welcome - please follow the [guidelines](CONTRIBUTING.md)
- [Drug Indications Database (DID)](https://figshare.com/articles/dataset/Additional_file_1_of_Toward_a_comprehensive_drug_ontology_extraction_of_drug-indication_relations_from_diverse_information_sources/4535021): is a dataset of structured drug-indication relations. It is intended to facilitate the building of practical, comprehensive, integrated drug ontologies.
- [EPA CompTox](https://comptox.epa.gov/dashboard): is a widely used resource for chemistry, toxicity, and exposure information for hundreds of thousands of chemicals including, but not limited to, chemical properties, environmental fate, and transport, hazard, in vitro to in vivo extrapolation (IVIVE), exposure, bioactivity (each data has its license).
- [Guide to PHARMACOLOGY](https://www.guidetopharmacology.org/): is an expert-curated resource of ligand-activity-target relationships. It includes activity data even for data with unknown bioactivity value (under CC BY-SA 4.0).
- [KD-DTI](https://github.com/microsoft/BioGPT): Drug-target-interaction triplets (12K training samples, 1K validation samples and 1.1K test samples). See [paper](https://academic.oup.com/bioinformatics/article/38/22/5100/6751771?rss=1#382115390).
- [KEGG PATHWAY Database(KEGG)](https://www.genome.jp/kegg/kegg2.html): a database resource for understanding high-level functions and utilities of the biological system, such as the cell, the organism and the ecosystem, from molecular-level information, especially large-scale molecular datasets generated by genome sequencing and other high-throughput experimental technologies.
- [LOTUS](https://zenodo.org/communities/the-lotus-initiative): harmonization, curation, validation and open dissemination of 750,000+ referenced structure-organism pairs (relationships between molecular structures and the living organisms from which they were identified).
- [MetXBioDB Metabolite Biotransformations](https://zenodo.org/record/4247792#.Y_uK3NJBypN): a comprehensive collection of biotransformation reactions and metabolite information from the BioTransformer database. It includes the transformation and metabolism of metabolites.
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