Chemlnnovation Software

CBIS (Chemical and Biological Informatics Systems) Chemlnnovation Software 103 http //www.cheminnovation.com/... 

NamExpert, Chemlnnovation Software, San Diego, CA http //www.cheminnovation. com/products/nameexpert.asp (accessed December 16, 2007). 

Out-of-the-box HTS informatics software solutions with integrated functionality of all three operational components (HTS data, plate and sample tracking, chemical structures) include ActivityBase from IDBS, Assay Explorer from Symyx (former MDL), BioAssay Enterprise from CambridgeSoft, Accord Enterprise (Accelrys), Chemlnnovation (CBIS), and others. However, we recommend careful evaluation of functionality, usability, architecture, and availability of a published application programming interface (API) if the system is to be integrated with other informatics components. Because the commercial solutions have different strengths, one answer is to combine different components or build certain functionalities in-house. 

The first publication about the computer translation of chemical names was published by Garfield in 1961. In that article, he described the conversion of names into chemical formulas and initiated the path toward N2S algorithm development.45 Developments in 1967 at CAS provided internal procedures for the automatic conversion of CAS names into chemical diagrams.46 47 The first commercially available software program was CambridgeSoft s Name=Struct released in 1999,48 now patented,49 which was followed shortly by ACD/Labs ACD/Name to Structure product released in 2000.50 Two more commercial products are available Chemlnnovation s NameExpert51 and... 

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