Training model on psychedelic drugs and their receptors

Hallucinome Dataset Includes fingerprint generation (Get_fingerprint.ipynb) and PCA generation (Fingerprint_PCA.ipynb)

Hallucinome Dataset

ExperimentalData_multilabel_rf.ipynb

ExperimentalData_realval_rf_threshold.ipynb

rf_singleLabel.ipynb

Insights of auto-fragmentation results: group_selfie_psy_upsetPlot.ipynb Group Selfies application in generating features: gsf_model_singleLabel_feature_importance.ipynb MACSS fingerprints: MACCS_model_singleLabel_feature_importance.ipynb