Substructures Proprietary

The similarity of the retrieved protons to those of the query structure, and the distribution of chemical shifts among protons with the same HOSE codes, can be used as measures of prediction reliability. When common substructures cannot be found for a given proton (within a predefined number of bond spheres) interpolations are applied to obtain a prediction proprietary methods are often used in commercial programs. 

Now that 170 people can logon to the CAS system there is no more need for microfilm indexes. None has been produced since 1985. Chemists can limit their substructure searches to any one of 3 proprietary data bases or to ITPAIS or they can search all four data collections. Eventually Kodak would like to add fiags and pointers for reports, for spectral data, for safety data and for the Stores File. 

One of the first commercial, proprietary anodes for decks was a flexible cable with a conductive plastic round a copper condnctor. The cable was woven across the deck and then a concrete overlay applied. It was also used on substructures with a sprayed concrete overlay. This system was very popular in the 1980s but unfortunately the condnctive plastic started to fail after about five year s of service. This led to attack of the copper and, in some cases, expansion of the plastic which delaminated and spalled the concrete overlay. This system is no longer available. 

One of the earliest examples of a proprietary CIDBS was begun at The Upjohn Company in 1974. The initial goal was a basic one create a system that would allow the company s 50,000 structures to be drawn in and stored in a database in their native graphical form and searched via graphically entered full structure and substructure search queries. Search response was expected to be interactive (i.e., less than 30 sec per substructure search). 

The ability of nitrites to stop corrosion when added to concrete has been known for many years and a proprietary calcium nitrite additive has been used in a number of structures including bridges and car parks, Florida DOT is carrying out trials of the use of calcium nitrite in their bridge substructures to prevent marine corrosion in the bridges on the Florida coast. 

The computer system is based on HDI s proprietary substructural key generation system MOLSTAC and the necessary MCI generation program, together with elaborate structural data entry and verification facilities, based on SMILES, a method developed by the Medicinal Chemistry Project at Pomona College, Claremont, CA. 

Mapping of the atoms in the reactants and products is a prerequisite for precise reaction searching via substructures (see Section 1) and is done by means of proprietary algorithms during reaction registration in the database, based on the automatic recognition of the MCS (maximum common substructure) to superimpose the reactant and product and to determine atoms/bonds common to both (MCS, the reaction invariant ) and thereby also the atoms/bonds unique to one reaction partner, the reaction centers. Reaction centers. 

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