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Random Sampling Metrization

The second step concerns distance selection and metrization. Bound smoothing only reduces the possible intervals for interatomic distances from the original bounds. However, the embedding algorithm demands a specific distance for every atom pair in the molecule. These distances are chosen randomly within the interval, from either a uniform or an estimated distribution [48,49], to generate a trial distance matrix. Unifonn distance distributions seem to provide better sampling for very sparse data sets [48]. [Pg.258]


See other pages where Random Sampling Metrization is mentioned: [Pg.310]    [Pg.386]    [Pg.163]    [Pg.320]    [Pg.309]    [Pg.310]    [Pg.319]    [Pg.730]    [Pg.735]   


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