Computer databank

DIPPR Project 882 is organized to develop, maintain and make available to its sponsors a computer databank of selected and evaluated physical, thamodynamic and transport properties for binary mixtures. The properties include viscosity, thermal conductivity, mutual-diffusion coefficient, excess volume and density, surface tension, critical temperature, pressure and density and the solubility of sparingly soluble materials. The data from the original literature have been compiled in their original units. Computer routines have been developed to provide the data in SI units for final dissemination. Assessments of the imprecisions and inaccuracies for each of the variables (temperature, pressure, composition and property) are made, and the results have been screened and adjusted, where applicable, to be consistent with the pure component data calculated from a variety of reliable sources. The data may be drawn from electronic database as tables and plots of the experimental data in the original or SI units. 

A general account of how the CHETAH program may be applied to estimation of chemical hazards in relation to process research and development has been given [10], Progressively enhanced and user-friendly versions of CHETAH, which give an overall hazard assessment and are capable of running on personal computers are available from ASTM [11], Comments critical of the criteria used for hazard evaluation in the 1994 CHETAH program [12] led to amendments and enhancements incorporated in the 1998 Windows version. The pure compound physical properties databank has since been expanded from 400 to 1500 compounds and the... 

All four of the proteomic technologies mentioned above (2D-PAGE, HPLC, MS, and protein arrays) are dependent on the use of bioinformatics as a tool for data mining and elucidation. Often, MS runs generate lists of thousands of potential peptide biomarkers, and only with the help of dedicated software tools can the data be analyzed. Computer searches involving databanks of peptides and proteins are used to compare the lists of masses of the proteolytic peptides to theoretical proteolytic products. Matches between the observed mass and the calculated mass can serve as a way of identifying proteins of interest [28-32],... 

M. Hendlich, F. Rippmann, G. Barnick-el. BALI automatic assignment of bond and atom types for protein ligands in the brookhaven protein databank. /. Chem. Inf. Comput. Sci., 37, 774-778, 1997. 

Ah initio computations are carried out for each parent molecule Mj(, and the fragment density matrices P (fragment density matrix is already available in the ADMA databank. 

In healthcare, we are today at a crossroads of yet, another of many notable technical developments. Personal computers have become ubiquitous and easier to use for healthcare professionals and patients. The newly available mobile or handheld devices have become more practical for real-time computing. Through the Internet or hand-eld device, there is ready access to a patient s medical information. With these tools, the art of practicing medicine is truly about to change. An electronic information resource for the Internet and for handheld devices, as for other platforms, requires that the data meet specific standards of reliability. First DataBank information is tried and true, a tested, authoritative source of such information. 

Now, several software programs can be used to examine the secondary structure of proteins in the protein databank. In addition, computer simulation is being developed to visualize the secondary and tertiary structure of proteins, which occur within microseconds of the formation of the primary structure. These computer simulations are bound to provide a better insight into the protein structure and perhaps establish the rules of secondary and tertiary structure formations. 

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