SCIENCE & TECHNOLOGY
Target Informatics Platform (TIP) is
across multiple industries. The database is equipped with a variety of search options that offer the casual searcher an easy-to-use and intuitive interface as well as powerful advanced search capabilities for more indepth research. In addition, an alerts feature keeps users apprised of the latest developments in nanotechnology research. Thomson Derwent, http://www.der went.com
structural and comparative proteomics software. It enables chemists to identify
Online
DIGITAL BRIEFS NEW SOFTWARE AND WEBSITES FOR THE CHEMICAL ENTERPRISE
Software Prime is a fully integrated protein structure prediction program. It provides both low- and high-homology modeling through an easy-to-use interface that takes a novice user intuitively from sequence to alignment to refined protein structure. Prime also allows expert users to make detailed manual adjustments to optimize the accuracy ofpredictions. The software fully integrates threading and homology model-
uses. Spectral Dimensions, http://www. spectraldimensions.com
potential leads using novel correlations between new binding sites and sites with known ligands. Researchers can visualize and compare the small-molecule binding sites on their targets of interest in seconds. TIP furnishes information about anti-infective targets that cannot be identified using comparative genomics approaches. The software can be accessed using Windows- or Linux-based desktop computers. Eidogen, http://www.eidogen.com ing, employs new algorithms to predict side-chain and loop conformations, and refines structures using an all-atom force field and implicit solvent model. It includes a powerful manual alignment editor. Prime supports UNIX on SGIs and Linux machines. Schrôdinger, http://www.schro dinger.com ISys 3.0 is chemical imaging analysis and visualization software that provides image processing tools with morphological operators such as dilation, erosion, skeletonization, and edge detection. Designed specifically for spectroscopists, it also has a complete particle statistics package. Because it is compliant with 21 CFR11 and
Ga m b i 12.1 provides fast geometry modeling and high-quality meshing that are crucial to successful use of computational fluid dynamics (CFD). Gambit can import geometry from virtually any computer-assisted design software in Parasolid, ACIS, STEP, or IGES format. It provides a concise set of solid modeling-based geometry tools. With these, the fluid domain can be extracted from imported geometry and further decomposition can be performed using simple Boolean operations. Gambit's semiautomatic cleanup tools can be used to repair and prepare the geometry for high-quality meshing. Fluent, http:// www.fluent.com
Databases
validatable under current pharmaceutical regulations, ISys is suitable for both laboratory and process analytical technology HTTP://WWW.CEN-ONLINE.ORG
HTScreening.net is awebsite that caters to the needs of those interested in highthroughput screening. It provides industry news and new product information that is updated daily, full details ofupcoming symposia with links, proceedings of past symposia, and lists of relevant journals, also with links. The supplier database is separated into subsections to make it easy to find products and services. The site also contains job listings and links to other relevant sites, http://www.htscreening.net
The "CRC Handbook of Chemistry and Physics," Web version, 84th edition, combines scientific information with electronic features. Users can sort and edit interactive tables in spreadsheet format and can do cross-table searching. Tables are linked to chemical structures. Physical property searching allows specifying small ranges. Data selection tools allow the display to be customized. CRC, http://www. hbcpnetbase.com FTIRsearch.com is a website dedicated to providing analytical chemists with online access to high-quality Fourier trans-
form infrared and Raman spectral libraries. It provides cost-effective access to spectral libraries for smaller labs, researchers involved in short-term projects, educational institutions, and anyone who performs less frequent spectral searching. FTIRsearch.com allows users to search for commercial-quality spectra online and pay only for the searches requested. Sponsored by Thermo Nicolet and Thermo Galactic, http://www.ftirsearch.com
The Web of Nanotechnology is aWebbased patent resource that delivers up-tothe-minute nanotechnology-related patent records from Derwent, journal literature from Thomson ISI, and editorially evaluated websites. With 35,000 patent records from the Derwent World Patents Index and more than 185,000 journal records from ISI Web of Science, the Web of Nanotechnology is the most comprehensive re- Digital Briefs is written by Janet Dodd, source of nanotechnology information who can be
[email protected]. C&EN
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