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Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset.
David B. Turner
Peter Willett
Allan M. Ferguson
Trevor W. Heritage
Published in:
J. Comput. Aided Mol. Des. (1999)
Keyphrases
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model validation
drug discovery
drug design
database
comparative analysis
evaluation method
real world
empirical studies
rule interestingness measures
synthetic datasets
shape descriptors
keypoints
benchmark datasets
feature set
d objects
object recognition
image sequences
feature selection