Names data base

The Chemical Structure Information System has been partially described in 1976 (2) The complete network of the chemical and biological information systems, including Sample Repository Data Base, Transaction File Data Base, as well as Chemical Name Data Base, is described. 

In principle, two different classes of structure generators can be distinguished, namely empirical approaches,. such as fragment-based or rule- and data-based... 

Title The name of the data resource as shown on the data source, as described in literature explaining data base services, or as conventionally cited when referencing a CPQRA or PRA. 

With the view that a KBS interpreter is a method for mapping from input data in the form of intermediate symbolic state descriptions to labels of interest, four families of approaches are described here, each offering inference mechanisms and related knowledge representations that can be used to solve interpretation problems namely, model-based approaches, digraphs, fault trees, and tables. These methods have been heavily used... 

Fig. 2 Flow chart of e-waste trade. Data based on the COMTRADE-based calculations from Lepwasky and McNabb [16], values in percent of whole trade volume between named regions...

The 8(b) inventory accumulation was the next major activity. For a decentralized company like Monsanto or, for that matter, most major chemical companies, the experience of centralized information gathering was a new experience. However, we believe that the experience not only was novel, but proved to be beneficial from several points of view. First of all, it enabled us to evolve a network of expertise. Second it gave us a central data-base on which to build other information important from a corporate point of view, and permit a one-time expense for developing a system. Third, it revealed that we needed to improve our data files in some areas. And, fourth, it gave our central staff departments some surprises as to substance locations. We used the Chemical Abstract Service Registry Profile capabilities to gather all the known synonyms and added our internal numeric and common identifiers to access the file via dozens of possible names or numbers. 

The CD-ROM version of the data base can be efficiently searched with a menu-driven type of software called Search Express. It allows one to search with Boolean expressions as well as individual words and/or frequency of hits as a function of the number of documents retrieved on a given topic. Numerous searchable fields have been included, allowing one to retrieve information by a variety of means, for example, the compound name the chemical registry number, the amount of material released into the air, water, or land the location of the site of release and the SIC code of the releasing party. One can also employ ranging methods with available numeric fields and sorting of output. 

The CHAOS program permits a maximum of 10 data bases to be open simultaneously. The data bases names will come up on the same Database menu, as the user opens them. If you have two data bases open, called "CHBASEl" and "CHBASE2," the menu will look like this ... 

As can be seen, the name of the data base used to make the disconnection is shown, as is the name of the disconnection and its position within the data base. 

If you wish to eliminate a disconnection from a data base, click on its name (in the window of this data base) and move to the option "Clear" Edit menu), which will bring up the following dialog box ... 

Once an identification has been made, the name and registry number of the data base compound are reported to the user. If necessary, the data base spectrum can be listed or, if a CRT terminal is being used, plotted, to facilitate direct comparison of the unknown and standard spectra. 

The strategy and the policy have not yet been worked out. In the past we have tried to get to a given facility about every two years. I am still unsure as to how we will cover them. We are reasonably familiar with the population of analytical laboratories and are able to keep up with the two-year schedule so far. If you think that we are unaware of your presence you might be right. A laboratory is not put into our inventory until it submits a study or its name comes up as responsible for part of another study. So, even if you are doing studies that you know are coming to the Agency we will not know of your existence until the study is submitted and your name entered into the data base. 

In 1981 a new list with 86 additional substances became available (ref. 8). The computer search of the RTECS was reasonably straightforward at that time. The key word "teratogen" was used and the RTECS data base searched for the names of compounds under this classification. The size of the printed file was reasonable (500-600 entries). A copy of the file could be posted in the laboratory, with a short explanation that the list of teratogens should be viewed with caution due to the fact that data from the RTECS are unevaluated and that uncertainties exist about animal-human extrapolations. Any librarian having access to NLM-MEDLARS (National Library of Medicine-... 

This data base is set up in such a way that typing the name of a reactant, say atp (lower case letters are used because capital letters are used for Mathematica operations) yields the function of pH and ionic strength for Af G ° and typing the name atph yields the function of pH and ionic strength for Af H °. These functions can be evaluated at a specific pH and... 

In writing chemical equations and biochemical equations it is important to be careful with names of reactants. Chemical reactions are written in terms of species. In chemical reaction equations, atoms of all elements and electric charges must balance. Biochemical reaction equations are written in terms of reactants, that is in terms of sums of species, H+ is not included as a reactant and electric charges are not shown or balanced. In biochemical reaction equations, atoms of all elements other than hydrogen must balance. The names of the reactants that must be used in making calculations with this data base are given later. 

To make use of this new tool we have to restructure our data base as indicated above, namely by entering the facts about the TLC behavior of our two model compounds in the new form. To enter the data we call again consult(user). and enter ... 

To check whether everything has worked out as expected we may request a listing of the various rules in the data base. This is done by entering the command listing with the rule name as the argument. For example,... 

We furthermore suggest to extend the TLC data base in order to have available a wider variety of test cases. For more flexibility it is suggested to put the data base in a separate file named TLCDATA.PRO. In the program development phase the data collection will be updated infrequently and will always be used in conjunction with the program. 

With the existing version of the PROLOG program the predicate hrf allows for retrieving the Rf values for the compounds in the data base. Backtracking supplies this information for other TLC systems. The same predicate used with the variable for the Rf value instantiated returns the names of compounds with Rf values within the range specified by the tolerance window. The predicate sep checks whether there is a TLC system that separates the two compounds specified. 

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