Bayesian matching of unlabeled marked point sets using random fields, with an application to molecular alignment

  title={Bayesian matching of unlabeled marked point sets using random fields, with an application to molecular alignment},
  author={Irina Czogiel and Ian L. Dryden and Christopher J. Brignell},
  journal={The Annals of Applied Statistics},
Statistical methodology is proposed for comparing unlabeled marked point sets, with an application to aligning steroid molecules in chemoinformatics. Methods from statistical shape analysis are combined with techniques for predicting random fields in spatial statistics in order to define a suitable measure of similarity between two marked point sets. Bayesian modeling of the predicted field overlap between pairs of point sets is proposed, and posterior inference of the alignment is carried out… 

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