minimum KLIFSAI (a machine learning model to predict Kinase activity)

This repo include models and data in the publication of minKLIFSAI, and contain the validation of each model found in both publication and repo: https://github.com/phalem/minKLIFSAI

Each folder contain 4 models and AUC curve of each as well as dictionary contain accuracy of each model and in the model like optimization model you will find also some hyper parameter that used. Details found in the publication. App can be used for virtual screening chemical data to predict kinase activity of 480 target id according to Uniprot either all or individually. Model trained on the data from PubChem. 1920 predictions were produced totally for each model type and dataset.