Software 516 INDEX

Recent software, taking advantage of fast computing, directly use the powder diffraction profiles instead of peak positions for indexing. Softwares such as X-Celft (based on successive dichotomy approach similar to DICVOL) and TOPAS-I (based on Monte Carlo methods) are examples. 

ChemTalk terminal emulation to run Molecular Design Limited s reaction indexing software REACCS on a mini/mainframe computer for access to centralized structure-based synthetic information ... 

More than one of the vendors of reaction indexing software use consortia of abstractors in the Universities to construct reaction databases. 

It is the opinion of the authors that in order to make implicit schemes a more viable method of searching reaction data, it is necessary to take the next step to include searches of second-order implicit schemes. A program which can accomplish this next step will blur the distinction between current reaction indexing software and traditional synthesis planning systems. Such a program can in principle dramatically increase the utility of reaction database, and could change the way chemists use reaction data software. 

OR AC (Organic Reactions Accessed by Computer, the reaction indexing software written at Leeds University and marketed by OR AC Ltd.) 31). 

Figure Bl.21.1. Atomic hard-ball models of low-Miller-index bulk-temiinated surfaces of simple metals with face-centred close-packed (fee), hexagonal close-packed (licp) and body-centred cubic (bcc) lattices (a) fee (lll)-(l X 1) (b)fcc(lO -(l X l) (c)fcc(110)-(l X 1) (d)hcp(0001)-(l x 1) (e) hcp(l0-10)-(l X 1), usually written as hcp(l010)-(l x 1) (f) bcc(l 10)-(1 x ]) (g) bcc(100)-(l x 1) and (li) bcc(l 11)-(1 x 1). The atomic spheres are drawn with radii that are smaller than touching-sphere radii, in order to give better depth views. The arrows are unit cell vectors. These figures were produced by the software program BALSAC [35]-...

ELECTRAS - web-based data analysis system. The software supports 2x2 different modes of action the modes for expert and novice engineers and the modes for expert and novice computational chemists. htip //www2.chemie.uni-erlangen.de/projects/eDAS/index.himl... 

MOPAC (freeware) Victor Lobanov, 1996, University of Florida ccl.net (http //ccl.net/cca/software/MS-DOS/mopac for dos/index.shtml) go to ccl.net MS-DOS mopac for dos mopac for dos.zip and unzip See Stewart, J. J. P, Computer-Aided Molecular Design 1990, 4, 1. 

Mass Spectroscopy. A coUection of 125,000 spectra is maintained at Cornell University and is avaUable from John WUey Sons, Inc. (New York) on CD-ROM or magnetic tape. The spectra can be evaluated using a quaHty index algorithm (63,76). Software for use with the magnetic tape version to match unknowns is distributed by Cornell (77). The coUection contains aU avaUable spectral information, including isotopicaUy labeled derivatives, partial spectra, and multiple spectra of a single compound. 

Besides the worldwide WPI database, Derwent provides on the ORBIT system the USPatents database, a bibhographic file of patent front page and cl aim information for U.S. patents since 1971. Derwent also produces a biotechnology database, GENESEQ, that indexes sequence stmetures of proteins or nucleic acids disclosed specifically or genetically in patents. This database is searchable with special sequence software on the InteUiGenetics system, and is a new addition to STN s database catalog. 

Indexing and retrieval software for searching MSDS files. 

The location could be controlled by index, register, inventory, or other such means which enables you to identify on what machines particular versions of the software are installed, where copies and the master tapes or disks are stored. 

Appendix A provides a brief description of several existing hardware and software tools designed for CA research. Appendix B contains a useful list of CA and more general c omplcxity-related information sources availabk on the World Wide Web (WWW), subject-sorted into a total of 91 WWW Universal Resource Loc a-tor (URL) links in 16 categories. The book is indexed and includes an extensive bibliography. 

There are three major steps to a patent search. (1) There is the US Patent Classification System that is a sort of subject index to all patents, (2) CASSIS is a computerized software information system provided by the USA patent office, and (3) review the patent that takes time involves the weekly official worldwide gazettes, magazines, etc. There are many ways available to search the patent database in both US and worldwide, but one web that is particularly useful to the novice or occasional searcher is one offered by IBM locate at http //www patents.IBM.com... 

Osprey http //biodata.mshri.on.ca/osprey/servlet/Index Network building software. One Circle, Concentric, Dual Ring, Spokes, Spoked Dual Ring 102... 

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