DATABASE UPDATE - Chemical & Engineering News

SOFTWARE/DATABASE UPDATE - Chemical & Engineering News...

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ORGANIC INTERMEDIATES FROM SWITZERLAND for • pharmaceuticals ~ agrochemicals _ dyestuffs

flavors w fragrances • photochemicals


6,7-Dimethoxy- * quinazoline-2,4-dione


NH 2



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and ail other Isomers 5-Nitroisophthaltc acid and derivatives OOOH

A 4-Phenyteyclohexanone


4-Aminoacetophenone ^H Custom synthesis Oilf tr^itîortal processes;

• nîmtèm » ca&tytio hydro^fiation and other reactions

HENLEY CHEMICALS, INC. S& Chestnut Ridge Road MontvakMM 07040 Phone {201 ) 307-0422 ÊAX {201)307*0424


•ΟΊΊΊΚΟΝ CH-5605 Dottikon/Switzerland Phone: 057 26 11 55 Telex: 827 923 ssf ch Telefax: 057 24 21 20


October 16, 1989 C&EN

SOFTWARE/DATABASE UPDATE • ESR (Calleo Scientific Software Publishers, $175 to $245, Circle 301) is a first-order isotropic electron spin resonance spectral simulation program for the Apple Macintosh. All naturally occurring isotopes of the first 103 elements are supported. The program can simulate up to 24 nuclear spin sets. • Transloader (Varian Associates, from $750, Circle 302) provides fast transfer of analytical data from Varian SpectrAA and DS-15 floppy disks to IBM PC disk format. Once transferred, data can be accessed by word processors, spreadsheets, and other IBM PCbased programs. • Automated Resource for Chemical Hazard Analysis Procedures (Federal Emergency Management Agency, Circle 303) is companion software for a government publication, "Handbook of Chemical Hazard Analysis Procedures/' The handbook and associated IBM PC-based program provide guidance to state and local governments, as well as industry, on how to respond to emergencies associated with discharges of hazardous materials into the environment. The package was developed by Arthur D. Little Inc. • Metalysis (Molecular Design Ltd., $10,000 license fee, Circle 304) is a reaction database emphasizing the chemical activation of organic molecules by transition-metal complexes. The database, designed to be used with the company's structural reaction access program, REACCS, features metal-mediated oligomerizations and polymerizations, catalytic oxidations and reductions, preparations of sulfur and phosphorus heterocycles, metathesis, and other topics. • WIMP 2001 (Aldrich Chemical Co., $250, Circle 305) is a molecule-drawing program for IBM PCs, PS/2s, and compatibles that runs within a Microsoft Windows operating environment. The orig-

inal version of the program was written by organic chemistry professor Howard W. Whitlock Jr. of the University of Wisconsin, Madison. For integration of structures with text, WIMP 2001 is compatible with programs such as WordPerfect, Microsoft Word, Ventura Publisher, and Aldus Pagemaker. • ChemPolymer (Chemical Design, $26,000, Circle 306) is a software toolkit for polymer modeling and property calculations that works with the company's Chem-X molecular modeling program. ChemPolymer can be used to generate homo- and copolymer structures from monomers, form crystalline domains, and calculate the temperature dependence of thermodynamic properties, among other functions. It runs on DEC VAX/VMS computers. • Grateful Med (National Library of Medicine, $30, Circle 307), a user-friendly interface to Medline and other National Library of Medicine databases, is now, available for use on Apple Macintosh PCs. The program formerly ran only on IBM PCs and compatibles. Grateful Med automates connecting to the library's computer, logging on, entering search terms, and downloading retrieved records. The average cost of a Grateful Med search is about $3.00.

Literature • Industrial Computer SourceBook (Industrial Computer Source, free, Circle 308) lists IBM PCbased hardware and software products for data acquisition, industrial control, and communications. • D2 Solutions (D2 Software, free, Circle 309) is a catalog of specialty products for scientific and engineering applications on the Apple Macintosh. For information on these items or numbered ads, see Reader Service Card