Comparison and Analysis of Molecular Patterns on the Example of SMARTS
Schmidt, Robert
Anisotropic Atom Reactivity Descriptors for the Prediction of Liver Metabolism, Ames Toxicity and Hydrogen Bonding
Göller, Andreas Hans 
Exploring 3D Molecular Shape Using Spectral Geometry
Seddon, Matthew
Creating Atom-to-Atom Mapping in Chemical Reaction Using Machine Learning Methods
Madzhidov, Timur