Descriptor Generation
w Electron Density Derived descriptors
n TAE (Transferable Atom Equivalent)
n WCD (Wavelet Coefficient Descriptors)
n PEST (Property-Encoded Surface Translator) Hybrid
Shape-Property Descriptors
n Autocorrelation of Molecular Surface Properties
w Traditional descriptors
n MOE
n atom and bond counts
n molecular connectivity index
Drug Design and Semi-Supervised Learning
DDASSL