ChemBase searching capability

Searching Capabilities. The searching capabilities, which make these programs different from previously available drawing programs, are shown in Table IV. ChemBase has the most powerful search capability which includes all text fields and the ability to retrieve a structure from a reaction scheme specifically as either a reactant or product. ChemFile has a range feature for each specific numeric field but is limited in the amount of data that can be stored (less than 20 characters per field). 

The searching capabilities, which make these programs different from previously available drawing programs, are shown in Table 4. ChemBase has the most powerful search capability which includes all text fields and the ability to retrieve a structure... 

The first commercial computer system to store, search and retrieve reaction schemes was ChemBase (see Figure 1). ChemBase could represent and display linear schemes, but was limited in its ability to perform scheme-oriented structure searches (see below). The Chemical Abstracts Service (CAS) has announced the availability of their reaction file (CASREACT)," organised with reaction schemes in mind. Although at present the scheme searching capabilities available at the user interface are limited, CASREACT appears to represent schemes in a more rigorous manner internally, allowing further user interface refinements in the future. 

A comprehensive database containing all published chromatographic separations using chiral stationary phases. It can be searched by the built in capabilities of Chembase and ISIS. It is continually updated. Subscription required for access. 

In 1986, several microcomputer-based software packages have become available which allow not only the creation of chemical structure files, but also the capability to search for specific structures, substructures and text from the files. Four of these newly available packages, ChemBase, ChemFile, ChemSmart, and PSIDOM, were reviewed and the basic system features compared. 

Offline preparation and presentation of chemical structure graphics is now possible on a PC using a variety of query editor programs (7), such as those listed in Figure 3. In most cases these are specific to a single system, and use a proprietary format for transmission of the query structure between the PC and the mainframe computer. For example, STN Express allows query structures to be built offline and then, after connection to STN, uploaded and searched against the STN online structure files. Retrieved structures can be downloaded onto the PC and browsed offline in STN Express. Similarly, CHEMLINK is now available for Telesystemes-DARC, while in the case of in-house systems, ChemBase provides similar capabilities for MACCS. 

---

See also in sourсe #XX -- [ , ]

---