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Neighborhood-Based Prediction of Novel Active Compounds from SAR Matrices.
Disha Gupta-Ostermann
Veerabahu Shanmugasundaram
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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prediction accuracy
neural network
prediction model
prediction error
data sets
data mining
sar images
predictive model
image sequences
super resolution
parameter estimation
image reconstruction
singular value decomposition
molecular structure