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Generalized Workflow for Generating Highly Predictive in Silico Off-Target Activity Models.
Lennart T. Anger
Antje Wolf
Klaus-Jürgen Schleifer
Dieter Schrenk
Sebastian G. Rohrer
Published in:
J. Chem. Inf. Model. (2014)
Keyphrases
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computer simulation
complex systems
neural network
model selection
statistical models
machine learning
experimental data
prediction model
target tracking
predictive model
accurate models
data sets
web services
parameter estimation
computational models
classification models