ChemBL API documentation is located here and here.

The examples in this notebook (chembl_structural_alert_analysis.ipynb) shows how to retreive the data from ChemBL using API.

To use this notebook, please clone this repository.

git clone https://github.com/nizamibilal/ChemBL_api_parsing.git
cd ChemBL_api_parsing

start the notebook (chembl_structural_alert_analysis.ipynb) with jupyter-lab or jupyter notebook.

jupyter-lab chembl_structural_alert_analysis.ipynb

or

jupyter-notebook chembl_structural_alert_analysis.ipynb

Distribution of alert set.

Questions and issues can be posted to the issue tracker.