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Updated: May 29, 2026

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
On the stability of shared near neighbor clustering
E Backer1, H P Haas, R Getreuer
1Department of Electrical Engineering, Delft University of Technology, Delft, The Netherlands.
Abstract:
This correspondence concentrates on the detection of stable clustering results when using the nonparmetric clustering technique of Jarvis and Patrick. This technique incorporates the concept of similarity based on sharing of near neighbors. Essentially, in this clustering scheme, two parameters are involved: neighborhood depth and similarity threshold. Combining a penalty for chaining with the detection of so-called hierarchical stable solutions in the field of all possible solutions, due to the setting of the two parameters, is experimentally shown to provide a powerful method for discriminating between reliable and unreliable results.
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