Partial Least Squares - This is a robust technique for generation of linear models based on multiple descriptors
Radial Basis Functions - This unique approach is an efficient numerical technique to generate a non-linear function that ‘maps’ the property variations in a descriptor space. A more computationally intensive version of this approach can also be used where a genetic algorithm initially searches for the optimal descriptor space in which to describe those variations.
Gaussian Processes - This powerful ‘machine learning’ technique generates robust non-linear models using a Bayesian statistical approach1.
Decision Trees - This is a recursive partitioning approach to building classification models in cases where good ‘continuous’ data are not available.
