This repository contains our processing of BindingDB. Refer to the corresponding Thinklab discussion for more information.
BindingDB includes the following licensing statement:
Data imported from ChEMBL are provided under their Creative Commons Attribution-Share Alike 3.0 Unported License. All data curated by BindingDB staff are provided under the Creative Commons Attribution 3.0 License.
All original content in this repository is released as CC0.
The analysis can be reproduced by running process.ipynb followed by collapse.Rmd.
The python notebook process.ipynb:
- processes affinities to floats
- converts to entrez genes
- simplifies observations into essential fields
The rmarkdown script collapse.Rmd:
- filters to human experiments
- converts to drugbank compounds
- collapses observations by compound-gene pairs