# Machine learning Classifiers for prediction of Pathway module & it classes We use SMILES representation of query molecules to generate relevant fingerprints, which are then fed to the machine learning classifiers ETC for producing binary labels corresponding pathway module & its classes. The details of the works are described in our paper. A dataset of 6597 downloaded from KEGG, 4612 compounds either belong or not to Pathway module in metabolic pathway the remaining 1985 compounds belong to module classes prediction problems ### Requirements *Chemoinformatics tools * Python * scikit-learn * RDKit * Jupyter Notebook ### Usage We provide two folder containing Classifiers files,grid search for optimization of hyperparameters, and datasets(module, module classes