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A marriage made in torsional space: using GALAHAD models to drive pharmacophore multiplet searches.
Jennifer K. Shepphird
Robert D. Clark
Published in:
J. Comput. Aided Mol. Des. (2006)
Keyphrases
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real time
probabilistic model
databases
accurate models
machine learning
learning algorithm
feature selection
case study
high dimensional
search space
data sets
knowledge discovery
parameter estimation
statistical model
experimental data
statistical models
space requirements
database