Search refinement

When put into Google this particular example returned 13,200,000 results. The addition of and to the search refined it to 5,680,000 and already the top search results mentioned approved drugs. This permits the creation of a list of existing products firstly already in the market, and then in research and in development to be created (see Figure 4.2). 

While the input query and search type are all that are necessary to perform a sfmcfure search in PubChem, there are numerous choices by which one may narrow the search to smaller subsets of PubChem. For example, one may search only within a previous Entrez search result, or even a previous stmcture search result, or upload a file of ClDs againsf which fhe search is fo be performed. One may filter based on a wide variety of properties, such as molecular weight, heavy atom count, presence or absence of stereochemistry, assay activity, elemental composition, depositor name or category, etc. Most of these subset operations could be accomplished through appropriate Entrez index queries followed by Boolean operations on structure search results however, the structure search tool provides a convenient one-step interface for chemical search refinement. 

Grindley, H.M. 3-D Distance Comparisons in Protein Secondary Structure Motifs For Substructure Search Refinement . M.Sc. dissertation. University of Sheffield, 1988. 

Chromatographic techniques, particularly gas phase chromatography, are used throughout all areas of the petroleum industry research centers, quality control laboratories and refining units. The applications covered are very diverse and include gas composition, search and analysis of contaminants, monitoring production units, feed and product analysis. We will show but a few examples in this section to give the reader an idea of the potential, and limits, of chromatographic techniques. 

The initial step is to identify which database, from a few thousands worldwide (about 10 000 in 2002), provides the requested information. The next step is to determine which subsection of the topic is of interest, and to identify typical search terms or keywords (synonyms, homonyms, different languages, or abbreviations) (Table 5-1). During the search in a database, this strategy is then executed (money is charged for spending time on some chemical databases). The resulting hits may be further refined by combining keywords or database fields, respectively, with Boolean operators (Table 5-2). The final results should be saved in electronic or printed form. 

Then, in the early and mid-1 990s, CAS developed SciFinder and SciFinder Sc ho lar to address the needs of professional chemists and other scientists. SciFinder was developed to allow more intelligence in data access, such as smart structure searching, research topic exploration, advanced author searching, and powerful refine and analysi.s capabilities including categorize and panorama". 

If the query provides thousands of hits, the analyze features are particularly advantageous. One method is to analyze the results by any of the criteria that arc listed, c.g., by language (default), author names, journals, puhlication year, and so on. If one specification is selected and the choice is modified, the hit list will be updated. A more specific analysis is available with the Refine" option. where the user has the opportunity to choose one of eight criteria (including the search topics above) with further individual input. Several refinements of the hit list can reduce the result to a concise list of literature. To read the abstract of an article, the microscope button (to the right of the citation) has to be pressed (Figure 5-15). 

After return to the Commander window, the reaction retrieval may be executed separately 629 Dicls-Aldcr reactions between aliphatic dienes and cyclic dicno-pliiles are found. This partial result can be narrowed down by restricting tlie reaction conditions by means of the fact editor, The search field codes for the yield and the temperature can be found to be RX.NYD and RX.T, respectively, either by browsing the database structure or by applying the Find option, as described in the first example. To ensure that the retrieved reaction conditions belong to the same experiment, both search terms must be connected by means of the PROXIMITY operator. Before the retrieval is started, the option "Refine results in... 

Figure 5-22. CrossFire Commander V6 for the refinement of a pr retrieval by means of a fact search.

Model optimization is a further refinement of the secondary and tertiary structure. At a minimum, a molecular mechanics energy minimization is done. Often, molecular dynamics or simulated annealing are used. These are frequently chosen to search the region of conformational space relatively close to the starting structure. For marginal cases, this step is very important and larger simulations should be run. 

The first step in designing a new compound is to find compounds that have even a slight amount of usefulness for the intended purpose. These are called lead compounds. Once such compounds are identified, the problem becomes one of refinement. Computational techniques are a fairly minor part of finding lead compounds. The use of computer-based techniques for lead compound identification is usually limited to searching databases for compounds similar to known lead compounds or known to treat diseases with similar causes or symptoms. 

A number of methods have been developed to introduce context to on-line databases, enabling searches to be refined to minimized false retrieval. One of the earliest techniques is proximity searching, in which two words are required to be adjacent, or within a limited distance from each other in text. The assignment of roles to chemical substances is a method of precoordinating concepts. A substance can be identified as a reactant, as a product, and in some systems in a number of additional roles. For example, by searching for documents in which formaldehyde is a product, documents in which it is a reactant, or in which it undergoes no reaction, are thus eliminated. 

Today, the use of CHIRBASE as a tool in aiding the chemist in the identification of appropriate CSPs has produced impressive and valuable results. Although recent developments diminish the need for domain expertise, today the user must possess a certain level of knowledge of analytical chemistry and chiral chromatography. Nevertheless, further refinements will notably reduce this required level of expertise. Part of this effort will include the design of an expert system which will provide rule sets for each CSP in a given sample search context. The expert system will also be able to query the user about the specific requisites for each sample (scale, solubility, etc.) and generate rules which will indicate a ranked list of CSPs as well their most suitable experimental conditions (mobile phase, temperature, pH, etc.). 

While recent studies of climate have contributed a gi eat deal to our understanding of climate dynamics, there is still much to learn. The process of searching for evidence of man-made climate change, in fact, is both a search for new discoveries about how climate works, and continuing refinement of our understanding of the underlying theories we already have. 

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