PCA-Based Representations of Graphs for Prediction in QSAR Studies.

Riccardo Cardin Lisa Michielan Stefano Moro Alessandro Sperduti

Published in: ICANN (2) (2009)

Keyphrases

prediction accuracy
drug design
prediction model
graph representations
principal component analysis
principal components
empirical studies
graph matching
prediction algorithm
higher level
graph structure
graph databases
drug discovery
directed graph
bipartite graph
graph theoretic