Scientific software package

Scilab - scientific software package for numerical computations (Freeware) http //www.scilab.org... 

Early scientific software packages focused on compilers, individual applications, and specific aspects of computer support such as statistics. More recently, software packages provide a broad, integrated, easy to use, and extensible set of capabilities to support research data management. RS/1 (TM) is described as an example of modern scientific software. 

Scientific software packages are beginning to have a large impact on productivity in research organizations. In a major pharmaceutical research and development organization at Merck,... 

The French mathematician J-B. Fourier (1768-1830) has become even more famous with the growth of microcomputers. The principle of his calculations, published in an article on the propagation of heat in 1908, is now applied in many scientific software packages for the treatment of spectra (acoustical and optical) and images. It is said that Fourier developed these calculations when Napoleon s army asked him to improve the dimensions of cannons. 

The mathematical relationships using the differential method to determine a, P and k are linear, and any commercial spreadsheet or scientific software package will have a suitable fitting program. It is desirable that the fitting software gives the standard deviations of the fitted parameters, so that the statistical errors of reaction orders and rate coefficients are known. 

SigmaStat stat analysis package Jandel Scientific Software... 

Scientific software tends to be better equipped for handling and presenting complex data than the commonly available business graph packages, but even when one knows which options to choose, the limits that two-dimensional paper imposes remain in place. 

BBN took a more systematic approach than had been used in the development of earlier software packages for the scientific market the company s goal from the start of the development process was to design an integrated general purpose package to provide broad-based interactive support for research data management. The result was RS/1. 

Peter Filzmoser was bom in 1968 in Weis, Austria. He studied applied mathematics at the Vienna University of Technology, Austria, where he wrote his doctoral thesis and habilitation, devoted to the field of multivariate statistics. His research led him to the area of robust statistics, resulting in many international collaborations and various scientific papers in this area. His interest in applications of robust methods resulted in the development of R software packages. J ( He was and is involved in the organization of several y scientific events devoted to robust statistics. Since... 

The practices contained in this section apply to Standard Software Packages (e.g., spreadsheets, text processors, database programs, CAD systems, graphics packages, and programs for technical or scientific functions) that are considered part of a computer system. By definition, this includes noncustomized application software that has been purchased and that has not been modified. 

This chapter does not cover these classical approaches but rather focuses on basic principles, evolution and scientific applications based on specialized pseudoreceptor modeling software packages. 

The objective of the book series Developments in Environmental Science is to facilitate the publication of scholarly works that address any of the described topics, as well as those that are related. In addition to edited or single and multi-authored books, the series also considers conference proceedings and paperback computer-software packages for publication. The emphasis of the series is on the importance of the subject topic, the scientific and technical quality of the content and timeliness of the work. 

Currently there are numerous software packages that perform the ab initio or DFT calculations introduced in this section. Most of these programs are available commercially, but there are a few distributed to the scientific community free of charge. Some popular programs are briefly described below, and the list is by no means exhaustive. 

PARVUS Elsevier Scientific Software, P. O. Box 211, NL-1000AE Amsterdam, The Netherlands Dfl 1325. Package for supervised pattern recognition and handling of multivariate data (ref. 19). 

ProCite are currently all owned by Thomson Scientific and are available as standalone software packages for both Windows and Macintosh platforms. RefWorks is a Web-based program with individual accounts that can be accessed across platforms from any point of Internet access. Biblioscape is available in a variety of stand-alone and Web-based options. For the most part, these programs cover the gamut of research disciplines and are fairly well populated with filters and templates specific to the chemistry literature. Reviews of these and other bibliographic management software tools are regularly available in the library literature. 

The publication record is an appropriate measure of the overall impact of software in both business and nonbusiness environments. Pharmaceutical, chemical, agrochemical, and biotechnology companies have been among the prime purchasers of commercial software. Academicians use these same software packages, which they usually can acquire relatively inexpensively. Although scientists in industry do not experience the same pressure to publish as academicians and therefore tend not to publish the same quantity of papers, many of the leading computational chemists in industry do publish as extensively as their academic counterparts. Thus the scientific literature gives a reasonable measure of the frequency with which software played a role in publications. Comparisons can be made based trends in those frequencies. 

The second advance was software. Prior to software packages supplied by Technicon (now Bran + Leubbe) and Pacific-Scientific (now FOSS-NIRSystems), little was available for calculating analyte concentration. Extraction of analyte into solvents and reading the solution in a cuvette was all that existed until about 1980. Then, Karl Norris developed multivariate equations where several wavelengths were combined in what amounted to a multiterm Beer s law equation. Until the two mentioned vendors released their (nonvalidated) software packages, calculations were basically performed by hand. In addition, equations were not secured validation trails were not made and there was no security in terms of system access. 

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