Source Code Repository for CASTER: Predicting Drug Interactions with Chemical Substructure Representation.
DDE is the source code folder.
run_sample_script.ipynb is the notebook version of the run_dde.py code.
Refer to https://github.com/kexinhuang12345/ESPF for more types of substructure decomposition fingerprints.
More instructions will be updated.
Cite:
@article{huang2019caster,
title={CASTER: Predicting Drug Interactions with Chemical Substructure Representation},
author={Huang, Kexin and Xiao, Cao and Hoang, Trong Nghia and Glass, Lucas M and Sun, Jimeng},
journal={AAAI},
year={2020}
}