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Abstract: Multidimensional scaling (MDS) is a collection of data analytic techniques for constructing configurations of points from information about interpoint distances. Such constructions arise in computational chemistry when one endeavors to infer the conformation (3dimensional structure) of a molecule from information about its interatomic distances. For a number of reasons, this application of MDS poses computational challenges not encountered in more traditional applications. In this report we... (Update)
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BibTeX entry: (Update)
M.W. TROSSET. Applications of multidimensional scaling to molecular conformation. Technical report, Rice Unversity, Houston, Texas, 1997. http://citeseer.ist.psu.edu/102663.html More
@article{ trosset98applications,
author = "M. W. {TROSSET}",
title = "Applications of Multidimensional Scaling to Molecular Conformation",
journal = "Computing Science and Statistics",
volume = "29",
pages = "148--152",
year = "1998",
url = "citeseer.ist.psu.edu/102663.html" }
Citations (may not include all citations):161 Nonmetric multidimensional scaling: a numerical method (context) - Kruskal - 1964
72 Multidimensional scaling by optimizing goodness of fit to a .. (context) - Kruskal - 1964
70 The analysis of proximities: multidimensional scaling with a.. (context) - Shepard - 1962
70 The analysis of proximities: multidimensional scaling with a.. (context) - Shepard - 1962
46 An interior trust region approach for nonlinear minimization.. (context) - Coleman, Li - 1996
39 Some numerical experiments with variable-storage quasi-Newto.. (context) - Gilbert, LeMar'echal - 1989
37 Some distance properties of latent root and vector methods i.. (context) - Gower - 1966
34 Theory and method (context) - Torgerson - 1952
25 Molecular conformations from distance matrices (context) - Glunt, Hayden et al. - 1993
23 the limited memory BFGS method for large scale optimization (context) - Liu, Nocedal - 1989
19 Discussion of a set of points in terms of their mutual dista.. (context) - Young, Householder - 1938
16 Multidimensional scaling and other methods for discovering s.. (context) - Kruskal - 1977
14 Sur la d'efinition axiomatique d'une classe d'espaces distan.. (context) - Schoenberg, Maurice - 1935
12 Distance Matrix Completion by Numerical Optimization - Trosset - 1995
10 Computing Distances Between Convex Sets and Subsets of the P.. - Trosset - 1997
9 Some properties of classical multi-dimensional scaling (context) - Mardia - 1978
9 Theory of multidimensional scaling (context) - de Leeuw, Heiser - 1982
7 A New Formulation of the Nonmetric STRAIN Problem in Multidi.. (context) - Trosset - 1993
5 The gradient projection method under mild differentiability .. (context) - McCormick, Tapia - 1972
4 Block relaxation algorithms in statistics - de Leeuw - 1994
4 Numerical algorithms for multidimensional scaling (context) - Trosset - 1996
3 The Solution of the Metric STRESS and STRESS Problems in Mul.. (context) - Kearsley, Tapia et al. - 1994
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