Numerical databases definition

The Metals Data File is offered by the Canadian Scientific Numeric Database Service of the National Research Council of Canada. It covers the same literature period and complements the ICSD for metals, alloys, intermetal lies and minerals. It contains at present about 60000 entries. Because of difficulties in the definitions of these terms there is some overlap with the ICSD. 

There have been numerous advances in the area of remote data acquisition. Data can be collected at the site via an electronic CRF or a hand held electronic device. These data can then be transmitted back to the sponsoring company and batch loaded into the sponsor s clinical trial database. Remote data entry technology currently allows for the easy definition and distribution of the electronic CRFs to the investigator site. Some online cleaning can be performed as the data are entered before transmission to the sponsor site, where additional quality checks are applied and transmitted back to the investigator site. This iterative process allows for collection and generally... 

Once the form is recognized as received by the system, a data entry operator can start entry into the database. In the data definition process, screen layouts will have been defined to facilitate the accurate and speedy entry. Some validation or discrepancy checks can be designed to trigger at entry. For example, if a data entry operator attempts to violate the criteria defined to the system for a particular data field (e.g., entering character information into a numerically defined field), a discrepancy can be raised to alert the operator for acceptance or correction to the data. If the entry correctly reflects what is written on the CRF, the value can be accepted and a discrepancy noted for later follow up. 

The UID provides the ability to save a definition to a database or to a local file system in XML format. The basic key field types that have to be handled are numeric, alphanumeric, currency, date and time, dropdown lists, and checkbox fields. Each field type includes labels appearing as an edit box label, descriptions used as hint texts for the user, as well as a unique identifier for referencing the field. 

The program does not use a database library of known reactions but simply generates all possible construction reactions in a generalized form, using a simple but rigorous and numerical description of molecules and reactions -. The form derives from a synthetically fundamental definition of four kinds of attachment on any skeletal carbon H for hydrogen (or electropositive element) ... 

The definition of a data SGroup (set of atoms and bonds) can be either tied directly to a chemical SGroup, or to an arbitrary set of atoms and bonds (except that once a bond is included, the two atoms of which it is composed are automatically included). Each data SGroup has associated with it a field and a value of data. The data fields to be allowed are defined by a database administrator as a part of the data dictionary. In the MACCS-II implementation, the program allows the same data field control as for data attached to the structure (text, numeric, and formatted). 

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