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Relationships between Molecular Complexity, Biological Activity, and Structural Diversity.
Ansgar Schuffenhauer
Nathan Brown
Paul Selzer
Peter Ertl
Edgar Jacoby
Published in:
J. Chem. Inf. Model. (2006)
Keyphrases
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drug discovery
molecular level
drug design
worst case
activity theory
protein structure prediction
interaction networks
quantitative structure activity
three dimensional
bayesian networks
computational biology
biological systems
molecular biology
structural model
functional properties
cell biology