Chemist | Spectroscopists | Collection | ||
PCA | ✔ | ✔ | ✔ | Principal component analyses |
P-Curve | ✔ | ✔ | Potential curve | |
Dynamic-PCA | ✔ | ✔ | ✔ | |
Hierarchical Clustring | ✔ | ✔ | ||
Heatmap | ✔ | ✔ | ||
Self Organizing Map | ✔ | ✔ | ||
Suport Vector Machine | ✔ | ✔ | ||
Neural Network | ✔ | ✔ | ||
PLS | ✔ | ✔ | ✔ | Partial least squares |
Statistics | ✔ | ✔ | Des. stat, T-Test, Anova (1-way, 2-way) and more | |
3-Way | ✔ | ✔ | ||
Complexation | ✔ | ✔ | M + L <=> ML | |
DNA-Ligand | ✔ | ✔ | DNA + L <=> DNA-L Ionic strength | |
Oligomerization | ✔ | ✔ | A + A <=> 2A (Temperature, Concentration) | |
Isomerization | ✔ | ✔ | A <=> B (Temperature) | |
Protolytic | ✔ | ✔ | (A + H),(A+2H),(A+3H) |