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Can 3D Structural Parameters Be Predicted from 2D (Topological) Molecular Descriptors?
Ernesto Estrada
Enrique Molina Pérez
Iliana Perdomo-López
Published in:
J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
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parameter values
three dimensional
feature vectors
expectation maximization
structural information
computer vision
multiscale
input data
maximum likelihood
shape descriptors
data sets
image retrieval
parameter settings
input parameters