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Phototoxicity - from molecular descriptors to classification models.
K. Friedemann Schmidt
Andreas Evers
Alexander Amberg
Gerhard Hessler
Catherine Robles
Karl-Heinz Baringhaus
Published in:
J. Cheminformatics (2011)
Keyphrases
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classification models
decision trees
training data
software quality classification
feature set
feature selection
shape descriptors
learning models
keypoints
drug discovery
feature vectors
decision tree algorithm
models built
training set
text classification
case study
attribute selection
data sets