CambridgeSoft ChemOffice

Commercial software vendors provide tools that can codify these chemistry rules. MDL Cheshire, CambridgeSoft ChemOffice, and Accerlys Accord Structure Checker are three examples. The recommendation is to leverage these tools. However, you do not want to be locked into these tools (although that is what the vendors would prefer). What you want is a design that allows you to easily unplug one tool and plug in another when necessary. 

Early implementations of the CIP rules for computer detection and specification of chirality were described for the LHASA [105], CHIRON [106], and CACTVS [107] software packages. Recently, several commercial molecular editors and visualizers (e.g., CambridgeSoft s ChemOffice, ACD s I-Lab, Accelrys WebLab, and MDL s AutoNom) have also implemented the CIP rules. 

CambridgeSoft at http //www.cambridgesoft.com/products offers a variety of tools including the software suite, ChemOffice . The combination package consists of ChemDraw , Chem3D , and ChemFinder . Every undergraduate... 

To Create the Organic Syntheses vieb site, the Board of Directors of OS formed a collaboration with CambridgeSoft Corporation (Cambridge, MA), producers of ChemOffice and ChemDraw, and DataTrace Publishing Company (Towson, MD), publishers of ChemTracts. OS fully funded this extensive effort. All of the information in the OS Collective Volumes, Annual Volumes, and Indices were digitized, mapped, and... 

Table 13.1 Molecular weight (MW) and lipophIIIcity (clogP) of sets of ligands taken from the COBRA compound collection [9], Average, maximum and minimum values, and standard deviations (a) are given. Properties were calculated with the software suite ChemOffice (CambridgeSoft Corp., Cambridge MA).

Chem3D This program is part of a package of programs called ChemOffice that includes ChemDraw and ChemFinder. It carries out molecular mechanics calculations with the MMR formulas, and can also carry out molecular dynamics calculations, which are basically integration of classical equations of motion. There is a trial version that can be used for two weeks without charge, and there is also a demonstration version that can be used indefinitely but cannot save or print files. Information is available at http //www.cambridgesoft.com. 

ChemOffice Desktop 2004 User s Guide, Cambridge, MA CambridgeSoft, 2004. 

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