Deterministic clustering of the available chemical space.

Philipp Thiel Lisa Peltason Christian Ottmann Oliver Kohlbacher

Published in: J. Cheminformatics (2013)

Keyphrases

clustering algorithm
search space
clustering method
unsupervised learning
low dimensional
categorical data
k means
data points
data clustering
higher dimensional
database
similarity function
cluster analysis
space time
high dimensional data
black box
dissimilarity measure
data mining
real world