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https://github.com/adam-maz/chembl_parsing_script
Script enables researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.
https://github.com/adam-maz/chembl_parsing_script
bioactivity chembl computer-aided-drug-design data-parsing ipython-notebook ligand-based-drug-design medicinal-chemistry python smiles structure-based-drug-design
Last synced: 6 days ago
JSON representation
Script enables researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features.
- Host: GitHub
- URL: https://github.com/adam-maz/chembl_parsing_script
- Owner: Adam-maz
- Created: 2024-08-19T19:42:15.000Z (about 1 month ago)
- Default Branch: main
- Last Pushed: 2024-08-19T21:31:06.000Z (about 1 month ago)
- Last Synced: 2024-09-27T23:22:37.307Z (6 days ago)
- Topics: bioactivity, chembl, computer-aided-drug-design, data-parsing, ipython-notebook, ligand-based-drug-design, medicinal-chemistry, python, smiles, structure-based-drug-design
- Language: Jupyter Notebook
- Homepage: https://www.ebi.ac.uk/chembl/
- Size: 49.8 KB
- Stars: 0
- Watchers: 1
- Forks: 0
- Open Issues: 0
-
Metadata Files:
- Readme: README.md
Awesome Lists containing this project
README
# ChEMBL_parsing_script
Script enables researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD) features. Cannabinoid Receptor Type 1 was used as an example.