Data base chemical

Access to a 2,700 chemical data base with hazard information, precautions, and health effects. Menu-driven software. 

Systems analyses are like formulas, they have little usefulness until the variables are assigned probabilistic numbers from nuclear or chemical data bases. These data concern the probability of failing vessels, pipes, valves, instruments and controls. The primary difference between chemical and nuclear data is that the former may operate in a more chemically active environment, while the later operate in radiation. This chapter addresses both, but most of the data were gathered for nuclear systems. It covers 1) failure rate databases, 2) incident databases, 3) how to prepare failure rates from incidents, and 4) human factors for nuclear and chemical analyses. 

The NIH/EPA CIS consists of a collection of chemical data bases together with a battery of computer programs for interactive searching through these disk-stored data bases. In addition the CIS has a data referral capability as well as a data analysis software system. It can be thought of then, as having four main areas ... 

One of the first goals of the CIS was to produce a series of searchable chemical data bases for use by working analytical chemists with no especial computer expertise. A second aim was to link these data bases together so that the user need not be restricted to a consideration of for example, only mass spectral data. 

CHEM-I LY Environmental Communications Consultants, Inc. 1759 Sharwood Place Crofton, MD 21114 (301) 858-0332 (301) 793-0622 Provides brief regulatory information for RCRA, OSHA, and SARA compliance also full text. Access to a 2,700 chemical data base with hazard information, precautions, and health effects. Menu-driven software. 

Computer s investigation of the chemical data bases (Chemical Abstracts) covering the period 1966-1984, dealing with the term CYCLOPROP (for cyclopropane and (or) cyclopropyl) gave 10 799 items. Consequently, only the main features of this topic are discussed in order to show the considerable efforts which have been and which are still currently devoted to the study of the challenging cyclopropane chemistry. 

Hicks MG, Jochum C, Maier H. Substructure search systems for large chemical data bases. Anal Chim Acta 1990 235 87-92. 

Figure 2.4 Chemical data bases used by surveyed organizations.

Willett and co-workers ° have developed several novel and useful techniques in molecular similarity based on substructural fragments. These approaches are based on the frequency of occurrence of generated fragment descriptors within the molecular graph. Success of these methods has been shown in 2D and 3D matchings of chemical structure, classification of chemical data bases, as well as property estimation. 

B. D. Hudson, R. M. Hyde, E. Rahr, J. Wood, and J. Osman, Quant. Struct.-Act. Relat., 15, 283 (1996). Parameter Based Methods for Compound Selection from Chemical Data Bases. 

The advent of computer graphics (1,2), the proliferation of personal computers (5) and the development of relatively user-friendly software has brought chemical data base building, structure and substructure searching, and chemical report production within the reach of the average chemist. 

A chemical information system, in a chemical or pharmaceutical company requires access to 2 different types of data the chemical structures handled by a chemical data base system and the information related to chemical structures including biological activity and toxicology handled by a data base management system (DBMS). 

Chemical data base systems, and especially the DARC Structure Management System (DARC-SMS), have from the beginning offered sophisticated capabilities for chemical structure registration and structure, or substructure, or generic substructure search. 

Nevertheless, research chemists also needed to have access from the structural system to the information such as biological test or inventory information stored in the DBMS and biologists needed to have access from the DBMS to the structures stored in the chemical data base system. 

The transfer of data from PCs to the central chemical data base or from the central chemical data base to PCs is then a critical point of the overall chemical information system. 

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