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Matching criteria

A normalized scalar product of two spectral vectors was used during matching as the similarity measure, and sequential searches through the entire library were always performed. Thus, each spectrum in turn was treated as a query. To simulate small variances in data acquisition, and/or spectral differences for very similar compounds, 1% and 5% of random white noise, has been added. Appropriate decomposition (wavelet or PCA) was then performed, and the resulting vector was compared to each of the spectral vectors in the compressed library. [Pg.296]

The IR library containing both closely related, and quite different spectra of 3339 organic compounds have been used. The range of 4000-416 cm was converted into 896 bands of 4 cm , and augmented to the nearest power of 2, that is to 1024 wavelengths. The histogram of the RMS pair-wise distances for the whole set of 3339 spectra is shown (Fig. 3). To illustrate in another way spectra variation, the variance spectrum of the studied library is presented in Fig. 4. [Pg.296]


Only one model met the matching criteria for both chemical classes. [Pg.71]

If the stream matching criteria can not be satisfied split a stream. [Pg.121]

The pathway characterized with the lower energy barrier is expected to be the preferred reaction channel, especially when the addition leads to the same product. Following the local HSAB principle, one has to look at the softness matching criteria, and the minimum of sAi —. BJ and sAj —. B will determine the preferred site of attack. [Pg.171]

These two paths are normally associated with different barrier heights introducing, thus, a regio-selectivity in the cycloadditive process. The path associated with the lower energy barrier should be preferred, and the corresponding cycloadduct will be dominant. Now, direct application of HSAB at the local level is not possible here, because it has to be satisfied for both the termini simultaneously. A softness matching criteria, thus, needs to be defined for the multisite interaction that measures the extent of the fulfillment of local HSAB principle. A quantity (A.v) can, thus, be defined to measure the softness matching criteria for the two paths in a least square sense, and the minimum value of this quantity should be preferable [27] ... [Pg.173]

The master "data dictionary" table, which describes all the objects in the database, as well as some parameters that are specific to the database (exact match criteria, version of the database, etc.). This is sometimes referred to as "metadata" or "data about data."... [Pg.375]

Excel provides a number of menu commands and functions that permit you to use a list as a database. You can use menu commands to find records in the database that match criteria that you define, or you can use worksheet fimctions to extract numerical information from a database. [Pg.138]

Even though all automatically found patterns are ranked according to certain matching criteria, visual analysis of at least several solutions (better yet, all that appear reasonable) is always recommended. [Pg.380]

V. L., and Slapak, M. Azathioprine and cyclosporin Different tissue matching criteria needed Lancet 2, 802-805 (1985). [Pg.273]

Other model matching criteria may also be employed, according to need. For instance, Eqn (27) may be matched to the solid phase temperature profile to give a relation for k, that is particularly suitable at very low Re, where solid phase conduction tends to predominate. Alternatively, wall fluxes may be equated, but this tends to give a cumbersome set of relations. Eqns (28) and (29) are more appropriate for intermediate to high Re flow, where the fluid mixing outweighs solid conduction, as in reactor applications. [Pg.706]

Another instance, where the methodology has been used is to predict the most favorable orientation between two small clusters to produce a larger one, according to the maximum matching criteria of the Fukui function [55]. The proposal was tested in the formation of a series of clusters Si (n = 4 - 8) using a set of small Si (n = 2 - 6)... [Pg.235]

Selection of Ground Motions for Response History Analysis, Table 1 Earthquake records selection and spectral matching criteria prescribed in the seismic codes and guidelines studied here... [Pg.3243]


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See also in sourсe #XX -- [ Pg.238 ]




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Match Criteria

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