In structural similarity

The assumed out-of-plane s-cisoid conformations with the dihedral angles 4> = 5-23° and 9 = 47-49°, which were found in structurally similar systems and confirmed by X-ray and other spectral characteristics, are supported by relatively large 57(F1F4) and 5/(F3F6)... 

Even if water vapor does not condense in CNG systems under static condition, some water vapor may condense in the portions of the system where pressure is reduced. The combination of water vapor and sulfur compounds has been known to cause the formation of hydrates, which are crystalline in structure (similar to snow) and which can cause operational and materials compatibility problems. Ways to prevent hydrate formation include limiting water vapor and sulfur in the natural gas, and through good system design. 

Friedberg I, Margalit H (2002) Persistently conserved positions in structurally similar, sequence dissimilar proteins roles in preserving protein fold and function, Protein Sci, 11 350-360... 

Dias, J.R. (1999) Directed toward the development of a rmified structure theory of polycyclic conjugated hydrocarbons the Aufbau principle in structure/ similarity studies. /. Chem. Inf. Comput. Sci., 39, 197-203. 

Calculation of the Number of Chromophores. One important parameter in the model is the number of chromophores. In previous studies [132, 175] this number was always used as an adjustable parameter in the model. In our opinion it seemed to be more correct to calculate the chromophore number independently. This would result in a better use and evaluation of the model. The most important property of the triazene polymer is the absorption maximum around 330 nm which was assigned to the triazene chromophore in structurally similar compounds [119, 140]. 

Patterson et al. [51] have validated descriptors using the concept of neighborhood behavior. The differences between calculated similarities of pairs of molecules were compared with their biological activities. A descriptor is said to exhibit neighborhood behavior if small changes in structural similarity correlate with small changes in biological activity. 

As shown in Sect. IV.2.B the activation barrier of the degenerate 1,2-shift of R in structurally similar ions is determined by the electron deficiency (by the value of positive charge q) on the atom to which the R group is transferred, i.e.,... 

This study did not investigate the transfer hydrogenation of 12 using a homogeneous catalyst. These studies would have been a useful comparison between a homogeneous catalyst and an MIP for the selective reduction in structurally similar ketones. 

Murray s law applied to cooling systems results in structures similar to Figure 2.5 and leads to branched systems and devices as displayed in Figure 2.6. The pressure loss in a network can be calculated with lumped element modeling and with the help of electronic circuit layout routines see the next section and Sack et al. [21[. 

Table 12.7 General indices of prediction accuracy for expressed activity in structurally similar condensed azole derivatives...

In a power reactor, the primary and secondary sources are rod like in structure, similar to a PWR control rod. Both types are clad in stainless steel. In a research reactor, sources are generally more compact and cylindrical. The specific core location of sources is determined during final design of the core to assure adequate neutron flux at the source range detectors at all times. 

Search systems are powerful tools, but as for most algorithms described in this chapter, care must be taken when they are used. The unknown and the hbrary spectra must both obey Beer s law. Care must be taken that the wavenumber calibration of an instrument is correct as wavenumber shifts may occur between the unknown and the hbrary spectra. The algorithms compensate for spectral shifts to some degree, but they cannot compensate for large shifts. In addition, the spec-troscopist must remember two important caveats (1) a hbrary search cannot identify an unknown unless the unknown is in the hbrary and (2) a high value of the hit quality index is not necessarily an indication of a correct match. The judicious spec-troscopist will visually compare the spectra of the unknown to the best matches to determine if they are indeed identical. In fact, the best test is to perform a spectral subtraction between the unknown and the hbrary match to see if there is a nonzero residual. If the two spectra are not identical, a nonzero subtraction will result. Finally, it should be recognized that spectral similarity does not indicate structural similarity. Certainly, some of the functional groups in structurally similar molecules will be the same, but the overall structure of an unknown and the best matches that result from a search may be quite different. 

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