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Semi-empirical derived descriptors for the modelling of properties of N-containing heterocycles.
Alexander Entzian
Horst Bögel
Mirko Buchholz
Ulrich Heiser
Published in:
J. Cheminformatics (2010)
Keyphrases
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keypoints
asymptotic properties
shape descriptors
structural properties
topological properties
databases
machine learning
information systems
decision trees
case study
low level
object detection
invariance properties