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Quality of Approximate Electron Densities and Internal Consistency of Molecular Alignment Algorithms in Molecular Quantum Similarity.
Patrick Bultinck
Ramon Carbó-Dorca
Christian Van Alsenoy
Published in:
J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
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van der waals
significant improvement
worst case
high quality
data structure
computationally efficient
similarity measure
pairwise
evolutionary algorithm
optimization problems
distance measure
x ray
exact solution
structural similarity
distance computation
multiple alignment