Principal Component Analysis
Paul Murray Catalysis Consulting offers training in all aspects of the implementation of PCA including:
- The theory and implementation of PCA.
- The selection of suitable properties for chemical datasets to generate appropriate PCA maps.
- The selection of materials from PCA maps to enable the efficient understanding of the chemical space and requirements of the chemical reaction.
- The selection of the appropriate experimental designs to incorporate PCA and the analysis of the resulting experimental data.
- Partial Least Squares (PLS) modelling to understand the properties of materials that play a significant role in optimum reaction development and prediction of suitability of additional materials for the chosen reaction.
- The prediction of reaction outcomes from the model.
- The use of SIMCATM software to carry out PCA analysis and subsequent modelling.