Molecular Quantum Similarity Measures from Fermi Hole Densities: Modeling Hammett Sigma Constants.

Xavier Gironés Robert Ponec

Published in: J. Chem. Inf. Model. (2006)

Keyphrases

similarity measure
databases
three dimensional
euclidean distance
quantum computation
data sets
machine learning
bayesian networks
mutual information
gene expression
modeling language
quantum computing