GitHub - Vinit2401/QSARapp: The app performs the QSAR modelling for topoisomerase II inhibitors. It takes SMILE of compounds as an input and give predicted values (82.70% accurate) of their bioactivity with topoisomerase II.

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 26 Commits
PaDEL-Descriptor		PaDEL-Descriptor
app.exe		app.exe
app.py		app.py
bioactivity_prediction_app.ipynb		bioactivity_prediction_app.ipynb
descriptor_list.csv		descriptor_list.csv
descriptors_output.csv		descriptors_output.csv
example_acetylcholinesterase.txt		example_acetylcholinesterase.txt
logo.png		logo.png
packages.txt		packages.txt
requirements.txt		requirements.txt
topoisomerase II_model.pkl		topoisomerase II_model.pkl

About

The app performs the QSAR modelling for topoisomerase II inhibitors. It takes SMILE of compounds as an input and give predicted values (82.70% accurate) of their bioactivity with topoisomerase II.