PPT Slide

• RECON

  • Transferable Atom Equivalent (TAE) descriptors
  • Wavelet Coefficient Descriptors (WCD)

• Hybrid shape-property descriptors : PEST

Feature Selection and Model Building



• Support Vector Machines (SVM)
• Partial Least-Squares Regression (PLS) or Kernel PLS
• Neural Network Analysis

COMP POSTER #147 Tue.

Virtual High throughput screening

Molecular

Structure

Descriptors

Model

Activity

Prediction

?

Road Map

Previous slide

Next slide

Back to first slide

View graphic version