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Compound Pathway Model To Capture SAR Progression: Comparison of Activity Cliff-Dependent and -Independent Pathways.
Dagmar Stumpfe
Dilyana Dimova
Kathrin Heikamp
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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computational model
machine learning
high level
cost function
least squares
parameter estimation
statistical model
social networks
image segmentation
similarity measure
multiscale
artificial neural networks
mathematical model
neural network model
formal model