Three-Dimensional Molecular Descriptors Based on Electron Charge Density Weighted Graphs.

Ernesto Estrada

Published in: J. Chem. Inf. Comput. Sci. (1995)

Keyphrases

weighted graph
three dimensional
electron microscope
van der waals
shortest path
discrete data
regularization framework
x ray
graph connectivity
data objects
graph structure
spanning tree
d objects
multi view
training data
feature space
edge weights
high level
learning algorithm