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ACD/Name

ACD/Name to Structure Batch


 

ACD/Name Batch

Key Capabilities

ACD/Name Batch :

  • Offers both IUPAC and Index (CAS) nomenclature generation.
  • Generates IUPAC names in English, French, and German.
  • Works in batch mode, unattended, providing names for about 50-300 structures per minute on a standard PC for a typical dataset.
  • Is available for both Windows and Linux platforms, and accessible through a command line.
  • Can process hundreds of thousands of structures in one session.
  • Accepts databases with chemical structures in MDL ISIS and ACD/ChemFolder formats, as well as SDfiles.
  • Can place generated names into the original databases.
  • Can generate text files with names for the structures with uniquely defined ID numbers.
  • Can output the program version and the error message to a database field or a file.
  • Outputs nomenclature numbering to atoms in the structure.
  • Allows the generation of a single name by setting the corresponding preference.
  • New! Generates structures and names from SMILES and InChI codes.
  • Converts chemical structures to SMILES strings.
  • Generates identifiers according to the InChI protocol

The naming preference settings of ACD/Name Batch correspond with the ones in the desktop (GUI) version of the ACD/Labs nomenclature software - ACD/Name. For additional technical details about the naming algorithms and preference settings, as well as reviews and testimonials, please refer to the Technical Info and Evaluation sections of ACD/Name product description.


Purchase of the Batch version of ACD/Labs nomenclature software entitles you to one free full-featured stand-alone desktop version of the ACD/Name software product.


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This page was last updated 23 January 2007
 

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