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Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies.
Katarzyna B. Koziara
Martin Stroet
Alpeshkumar K. Malde
Alan E. Mark
Published in:
J. Comput. Aided Mol. Des. (2014)
Keyphrases
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prediction accuracy
prediction error
test cases
data sets
semi automated
prediction model
search based testing
long term
test set
case study
prediction algorithm
test generation
information systems
computer vision
voronoi diagram
topology preserving
model based testing
information retrieval