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Prediction of Individual Compounds Forming Activity Cliffs Using Emerging Chemical Patterns.
Vigneshwaran Namasivayam
Preeti Iyer
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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chemical compounds
drug discovery
prediction accuracy
activity patterns
prediction algorithm
subcellular localization
prediction model
pattern discovery
communication patterns
experimental data
data mining
prediction error
human activities
graph patterns
behavioral patterns
data structure
cell lines