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Numerical Minimization Procedures in Molecular Mechanics: Structural Modelling of the Solvation of -Cyclodextrin.
Wolfgang Linert
Peter Margl
István Lukovits
Published in:
Comput. Chem. (1992)
Keyphrases
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structural information
three dimensional
objective function
sensitivity analysis
qualitative models
regularization term
structural analysis
machine learning
social networks
information systems
drug discovery
numerical analysis
dna computing
minimization problems