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Theoretical Prediction of Partition Coefficients via Molecular Electrostatic and Electronic Properties.
Olivier Lamarche
James A. Platts
Anne Hersey
Published in:
J. Chem. Inf. Model. (2004)
Keyphrases
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prediction accuracy
linear prediction
linear combination
three dimensional
drug design
prediction algorithm
prediction model
prediction error
physico chemical
data sets
protein function prediction
desirable properties
wavelet coefficients
partitioning algorithm
multiscale
image segmentation
learning algorithm