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QSAR model based on weighted MCS trees approach for the representation of molecule data sets.
Bernardo Palacios-Bejarano
Gonzalo Cerruela García
Irene Luque Ruiz
Miguel Ángel Gómez-Nieto
Published in:
J. Comput. Aided Mol. Des. (2013)
Keyphrases
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data sets
representation scheme
image representation
tree representation
database
decision trees
drug discovery
compact representations
real world
pattern recognition
feature space
training set
data driven
high dimensional data
benchmark data sets
feature representation