Dissimilarity search

Using aU available structural conformations, the pharmacophores represented in a single molecule can also be encoded in much the same way as the fingerprints described above for dissimilarity searching (Figure 5) using distance metrics. ... 

Figure 4.59 presents the results obtained when the basic system, containing G6PDH and GR, was operated as a fed-batch reactor in the configuration described in Figure 4.58. For comparison, the results of pertinent numerical simulations are also shown. It can be seen that the signal obtained in the experimental system indeed follows the characteristic course shown by the signal calculated, but the actual numerical values are different. This dissimilarity has been attributed to inhibition effects in the reactions involved, effects that were not considered in the calculations. Therefore, a search for potential inhibitors was undertaken.

These laws have granted consistent authority through an act from the very first Congress [70]. On this basis, the Supreme Court has generally allowed searches of marine vessels without warrants due to marine vessels being easily transportable, and the lack of abihty to set up roadblocks at sea as on land [71, 72]. The analysis is not dissimilar to those of motor vehicles, as both ships and vehicles are instruments of transportation. 

A consequence of screening dissimilar libraries is that by their very nature they should contain only a small representation of any particular scaffold. As a result, there are usually few actives of similar structure this prevents the formulation of hypotheses as to the possible substructure responsible for activity. Thus, similarity searching around initial hits is very important to permit sufficient information to be acquired to allow such hypotheses to be made and... 

Biological psychiatry, today, aims at elucidation of the biology of disease entities. This intention presumes the validity of those entities, but this premise is disputable. Many of the disease entities presently distinguished seem to represent, at best, basins of a variety of more or less comparable, but in many ways dissimilar, disorders. It is hard to believe that the search for particular brain dysfunctions underlying a diagnostic construct, representing in point of fact a diversity of disorders, stands much chance to score a success. 

Dissimilarity (opposite effect) due to bulky side groups hindering the action ot compounds containing the ethyiamine moiety were also found. Again the data base lacked a descriptor indicating the medical use property sympatholytic. Examples ot such compounds would be tranquilizers such as the reserpine alkaloids. An effective search strategy for compounds ot this type has not been developed and consequently the space for them in Table IV cannot yet be filled in. 

Comparison of these fingerprints to a reference componnd is nseful in searching for either similarity or dissimilarity. The reference componnd itself can be chosen at... 

Dean, P.M., Callow, P. and Chau, P.-L. (1988). Molecular Recognition Blind-Searching for Regions of Strong Structural Match on the Surfaces of TVo Dissimilar Molecules. J.Mol. Graphics, 6, 28-34. 

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