Users can also select one of the different search types e.g. substructure search, exact search, superstructure search etc. Figure 1 illustrates an example of structure based search of Hmrbase entries where a phenyl group was used as a query substructure.
For example, in a knowledge structure based on a set of states \(W\) this might be the set of all subsets of \(W\) or the set definable subsets of \(W\) in some suitable logical language.
Thus, a range of software tools have been developed that allow to correlate the structure of a chemical scaffold and biological activities for example by utilizing chemical structure based hierarchical ontologies.
The analysis based on principles of information visualization and functional design requirements—shows that these examples possess a sound visual structure based on functional design criteria, and that they integrate cultural context without distorting the data.
For example, the team members proposed a foundation conversational structure based on active listening [ 39].
The location of such cavities is important to better understand protein functions, as needed in, for example, structure-based drug design.
As one example, structure-based alignment algorithms are susceptible to shift error [18], meaning that positions in the structure alignment are not orthologous despite the fact that much of the secondary structural elements seem to overlap between aligned structures.
For example, structure-based engineering allows the placement of metals with spatial control at the atomic level through genetic control, yielding unique plasmonic nanomaterials.
A more general example of such a structure (than the present pathway-based hierarchy) involves, for a given gene set, a tree structure based on a gene ontology (GO) [ 12] tree, which will be studied in future work.
These examples aren't purely hypothetical; they're estimates of a typical industry structure, based on our data.
