Report 8 - GeorgeIniatis/Blood_Brain_Barrier_Drug_Prediction GitHub Wiki
- Datalore Static Copy
- Created a Logistic Regression model for chemical descriptors
- Created 3D visualisations for PCA, TSNE and UMAP
- Questions/Topics to discuss
- When using cross validation do I need to further evaluate my data using an independent test set?
- What metric should I try to optimise? Precision, Recall, F1 Score, AUC
- Should I add a class weight to the models?
- Any SK-Learn best practices I should be aware of?
- Any models that would work best and I should definitely give a try?
- Was thinking of splitting my models into 4 categories:
- LogBB Regression
- Chemical Descriptors Classification
- Side Effects and Indicators Classification
- Chemical Descriptors + Side Effects and Indicators Classification