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Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital method.
Michael P. Mazanetz
Osamu Ichihara
Richard Law
Mark Whittaker
Published in:
J. Cheminformatics (2011)
Keyphrases
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prior knowledge
high precision
synthetic data
detection method
prediction model
data sets
similarity measure
pairwise
detection algorithm
clustering method
cost function
machine learning methods
high accuracy
evolutionary algorithm
preprocessing
data analysis
three dimensional