1. SMILES zeichnen und schreiben.
What is canonical SMILE?
2. Lipinski's rule of 5. Definition and cut off values. Aus exercise notebook --> how many marketed drugs to not follow lipinski's rule of 5? (MC)
3. difference between classification and regression
4. Tanimoto similarity formel und berechnung. when two vectors have tanimoto similarity 1, same molecule?
5. when use early enrichment methods (BEDROC, LIE) instead of AUROC
6. ROC Curve zeichnen (better than random, random and worse) + zahl an achse anschreiben
7. tree: 2 vectors need to decide how the algorithm would decide going along the tree path and write result (0/1) into table.
8. TP,FP, TN, FN in tabelle eintragen und accuracy berechnen
9. definition of KD and the connection to delta G (formeln) und angabe aller parameter
10. unterschied systematische und stochastische algorithms
11. activities found on ChEMBL?