Chemistry Ssearch in Wiley Online Library is a specialist search combining structure searches on a chemistry database with text queries on Wiley enriched content. The primary goal of this hybrid search is to allow chemists to find and discover chemical structures in selected Wiley enriched chemistry literature.
By combining search strategies used in both advanced chemistry searches and text queries, Chemistry Search in Wiley Online Library provides a unique blend of standard chemistry searches, based on structure drawings and chemical identifiers, and the research based world, where scientists build complex queries by combining multiple search criteria.
Chemists can run substructure, exact and similarity queries, filtered by molecular weight and molecular formula. Also available are specific literature options, allowing users to target their search to particular authors, publications or keywords. The relevancy of the article results is determined by the prominence of the chemical structures within the articles.
Currently, only a select number of journal’s content can be queried using this expert chemistry search: Journal of Heterocyclic Chemistry; Chemistry – An Asian Journal; and Chirality. Other journals and chemistry publications will soon be available as well.
You can access Chemistry Search on all enriched chemistry articles available in Wiley Online Library. In this type of search, you find relevant chemical compounds mentioned in Wiley Online Library literature by submitting structure queries. These will typically either use a simple Name or Identifier (eg. InChI, InChIKey, SMILES) or a structure drawing or an uploaded .mol/.sdf file. Other options available to match compounds in articles are the molecular weight and molecular formula.
All the queries run simultaneously across our cartridge and our content, matching compounds described in enriched articles of specific publications.
You can find compounds by entering a search term in the Name/Identifier tab of the Chemistry Search page. This parameter can be one of the following descriptors: Chemical Names, Drug Synonyms, InchI, InchIKey and SMILES. Although this search uses a text input, it will also look for matches for compounds in a cartridge. By default, only the complete string will be matched (Ex: "aspirin" will find compounds that have a name or synonym "aspirin", but not "aspirina"). However, you can use wildcards to match parts of strings as well.
For more specialist searches where the exact string match is not enough to retrieve relevant results, you can use wildcards to expand your query. Here are some examples of how to use them:
Please note that if you choose to search using wildcards your query will be limited to 256 characters
You can also use logical operators in the Name/Identifier filed to look for specific combinations of different chemistry properties in a single compound. Here are some examples:
If the query search contains more than one of these logical operators, the system will execute them in the following order:
Blank spaces between words are treated as an AND operator. Therefore, if you want to match compounds with more than one term or property, you can simply write the search term with a blank space (like "Sodium sulphate").
While the Name/Identifier search allows searching for molecules using text as input, on the Draw/Upload tab you can submit queries either by drawing a chemical structure or by uploading a valid chemical file supported by the Marvin Editor – the interface tool used to support this type of search.
This is the most common type of search used by chemists and it is also the default structure search option on the Draw/Upload tab. It will match compounds containing the structure query as a subgraph.
This will find articles featuring identical (or duplicate) structures to the one used in the query. The returned molecules will have the exact same size of the query structure.
Similarity searches will retrieve articles describing structures that are similar to the query structure. Our cartridge uses the Tanimoto coefficient to determine the similarity between the query and the target (hit) compound.
Structure queries can be further refined with additional Structure Properties and Literature Filters.
This filter contains Molecular Weight Range and Molecular Formula Ranges as additional options.
Expressed in g/mol, molecular weight can be used to find articles with references to compounds within a specific weight range. This criteria can be combined with substructure and similarity searches or with a name/identifier. The molecular weight can be specified as a range (minimum and maximum) or as an exact weight (with the same minimum and maximum values). If any of the ranges are left empty, an infinite value is assumed. For example, if you set a minimum of 100 g/mol for molecular weight and no maximum value, your query will run as all masses >= 100. Equally, if a set a maximum weight (Ex: 200 g/mol) and no minimum, the query will be interpreted as <= 200.
If you know the composition of the compound you’re looking for, you can use the molecular formula to find relevant articles, either by specifying an exact formula or by defining a formula interval. This interval is defined by specifying the number of atoms per element expected in the results. For example, a formula C7H10-14 signifies molecules with 7 carbon atoms and between 10 and 14 hydrogen atoms. A query C2-6H2-6 would match compounds with a minimum of 2 and a maximum of 6 carbon atoms and between 2 and 6 hydrogen atoms. The formulas are case insensitive and do not require Hill Notation – any order of elements is accepted. White spaces are ignored. For more information about this feature see Chemaxon's capabilities for advanced formula searches http://www.chemaxon.com/jchem/doc/user/query_sofformula.html.
In addition to using the Structure Properties mentioned above, you can also refine your query with specific literature filters. These fields can only be used in combination with at least one parameter defining a structure query: a drawing, a name/identifier, a molecular formula or a molecular weight. Use the pull down menus to select the fields you want to search.
Searches for structures in specific journal or book titles containing your search term. Ex: Chemistry – an Asian Journal.
Identifies structures in articles by specific authors. Author names may be presented with full first name or may only use the author’s initials with surname.
Searches for a combination of structures featured in articles containing the specified term(s) within the full text of journal articles and book chapters. Searches can be single or multiple terms, phrases or complex searches using logical operators AND, OR, NOT.
The Literature Filters also allows users to restrict their searches based on a series of date ranges which include
The results are ordered by the relevancy of the searched compounds within the articles. In the citations, you can see which compounds match the structure query and how many structure matches were found for every article. By clicking a compound you will be directed to the first reference of the selected compound within the article and you will be able to see all the references to the compound highlighted in the full text.
If the results are not what you expect or too many results are returned, you can refine your current query by clicking the "Edit Search" button or start a new query from scratch by pressing the "New" button.
By using the drop down menu provided, search results can be sorted in two ways