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A default set of properties are presented in the lower half of the Chemical Search screen. You can set your own layout and save this to your workspace if you wish.

To add a property click Add Properties in the left menu.

Select the property you wish to add and click Close.

Notes:

1. The new property is added to the end of the current list. If you wish to set a specific order so that you can link fields with Boolean operators you should add them in the order in which you wish to link them.
2. You can add a field more than once. This allows you to search for multiple terms in one field and link with Boolean operators

Boolean Operators

You can link the search property fields and text search terms using the Boolean operators: AND, OR, NOT.

AND: Search for entries containing both terms.

OR: Search for entries containing any one of the search terms.

NOT: Search for entries containing the first search term but specifically not containing subsequent terms.

Within a Text Field

Boolean operators can be used within a text field.

• The Boolean operator must be uppercase.
• Only text fields are supported. For numerical fields use the method described below.

Between Fields

Each field is linked by a Boolean operator. The default is AND.

• To search for more than one term in the same property (text or numerical) you can add the property more than once.
• Add properties in the order you wish to link them.
• If a structure search forms part of your search then the Boolean operator to the left of the first populated search property defines the relationship between the structure and the property.

Delete a Property from the Search

Use the Delete button (X) to the right of the screen to delete a property.

Note: empty property fields are ignored in the search so you do not need to delete fields you do not wish to use.

In text fields you can use the wildcard * before and/or after your search term.

Numeric Properties

The majority of the fields are numeric properties (melting point etc.).  These do not support the * wildcard but use the Comparison operators instead.  Using these you can search for exact, greater than (or equal), less than (or equal) and ranges.

Browse Indexes

Most searchable fields have a browse index which you can use if you are not sure of the exact term you want to use.  To open the browse index click ui-button to the right of the input box for the field you wish to browse.

By default the index will open at the beginning of the index.  You can paginate through the index using the navigation button.

Most indexes are quite large and so you can navigate closer to the term you wish to find by typing the first few characters into the search term box before clicking ui-button.

The index will open on the page on which that search term fragment exists.  If the fragment does not exist in the index then it will open on the page where the first characters do exist.  e.g. if you type six into the Chemical Name search field, the browse index will open on the page containing the first instance of a name starting si, since no names exist starting six.

Special Properties

Molecular Formula

You can search for a specific formula by typing into the search box or selecting it from the browse dialog.

For example, searching for Al will find the entry for Aluminium only as this is the only substance with this exact molecular formula.

You may also use the * wildcard in the same way as other text fields, e.g. searching for Al* will find all substances whose formula begins Al.

However, there are a number of templates available from the browse dialog which extend this functionality and these are described below.

All Elements

Select this to see a list of all individual elements from all of the molecular formulae in the dictionary.

For example, select Al from this list and your search will include any substance with Al in its molecular formula.

The element is contained within the pipe | character in the search box.  You can enclose any element, or group of elements, in this character yourself instead of selecting from this list.

For example, type |AlCu| into the search box to find all compounds with molecular formulae containing AlxCuy

Only CHX

Use to search to compounds containing common element combinations, e.g. CH only or all halogenated hydrocarbons CHX etc.

The selected element combination is added to the search term box surrounded by curly brackets, e.g. {CHX}.

You can enclose any combination of elements, including X for halogen to create your own template.

For example, type {CHSi} to find any compound containing only these elements.

Metals/Non-metals

Use to restrict your search to compounds containing/not containing metals only.

Molecular Formula by Element

This is a numerical index of every element in each molecular formula in the database.  Use this field so search for compounds containing any number of a certain element or a range.

For example, to search for all compounds containing 20 carbon atoms, select = from the operator box, C from the Element Box and type 20 in to the Search Term box.

It is also possible to search for multiple elements and a range of numbers at the same time.  Simply add a second Molecular Formula by Element field to the Search form, ensuring that they are next to each other in the search form and set the correct Boolean operator between the two Molecular Formula by Element property fields.

Type of Compound

The Type of Compound Index is arranged in a cascading tree view.  Click the > sign next to the compound class type you wish to view then scroll down the list of available codes and select Add Term.

Type of Organism (DNP, DMNP only)

The Type of Organism Index is arranged in a cascading tree view.  Click the > sign next to the compound class type you wish to view then scroll down the list of available codes and select Add Term.

Clear Searchable Fields

To clear an individual searchable field click ui-button

To delete all fields click Clear Properties in the left menu

Searches can be saved so that you can return and re-run a search without having to re-enter all of the search terms and fields to the search screen.

In the Search Screen or Search Results page, click Save Search.  Enter a name for the search then click the Save button ui-button.

The Save Search dialog gives the option to update the current search or save as a new search:

Loading a Saved Search

Click the Saved Searches button in the left menu.

Click the saved search to load it in the search page.

Click the delete button ui-button to delete a search.

Clicking the Start a New Search button in the left menu performs the following actions:

• Unloads any saved searches
• Clears all search fields and structure search
• Resets the search fields to the system default