@ARTICLE\{IMM2005-04200,
    author       = "K. Nols{\o}e and M. Kessler and J. P\'{e}rez and H. Madsen",
    title        = "Bayesian conformational analysis of ring molecules",
    year         = "2005",
    month        = "dec",
    keywords     = "Cycloalcanes, Reversible Jumps, Conformational Analysis, Mixture",
    pages        = "35",
    journal      = "Journal of Chemometrics",
    volume       = "",
    editor       = "",
    number       = "",
    publisher    = "",
    url          = "http://www2.compute.dtu.dk/pubdb/pubs/4200-full.html",
    abstract     = "In this paper we address the problem of classifying the conformations of mmembered
rings using experimental observations obtained by crystal structure
analysis. We formulate a model for the data generation mechanism that consists
in a multidimensional mixture model. We perform inference for the proportions
and the components in a Bayesian framework, implementing an {MCMC} Reversible
Jumps Algorithm to obtain samples of the posterior distributions. The method is
illustrated on a simulated data set and on real data corresponding to cyclo-octane
structures."
}