ACD/Name Batch
What's New
Version 10.0 to 12.0
ACD/Name Batch extends the enhancements made to the nomenclature algorithms offered via the desktop software version of ACD/Name to batch processing. In particular, the new release features:
- Support of new IUPAC naming: Alkanyl vs. Alkyl names
- Support of the new CAS rules for ACD/Labs Index names
- Expanded support of coordination structures
- InChIKey generation
Review the examples in What's New with ACD/Name
Download a PDF copy of the expanded details on What's New with ACD/Name, or contact your Account Manager or Distributor.
Version 9.0 to 10.0
The version 10 release of ACD/Name Batch offers the following new functionality to Batch nomenclature software users:
- Ability to name structures with isotopic substituents
- Generate systematic chemical names for structures with isotopic substitution, which was not possible in earlier versions. Both IUPAC and Index (CAS-like) names can be generated. Review the examples in What's New with ACD/Name
- Changes to the treatment of retained IUPAC names
- Name generation from InChI notations
- Increased speed of name generation
- Our tests indicate that ACD/Name Batch v.10 generates systematic names about 2–3 times faster than in the previous version.
Among the key features of ACD/Name Batch version 9.0, are:
- ACD/Name Batch software now includes both IUPAC and Index modules.
- Version 9.0 is available for Linux operating system.
- IUPAC Names can be generated in English, French, and German.
- InChI Protocol is supported .
- Multi-parent fused systems are supported.
ACD/Name Batch now includes both IUPAC and Index modules
Starting with version 9.0, ACD/IUPAC Name Batch and ACD/Index Name Batch are combined into ONE commercial product.
IUPAC nomenclature support in French and German languages
Version 9.0 of ACD/Name can generate systematic chemical names in French and German, in addition to the previously supported English language-based nomenclature.
Generate IUPAC International Chemical Identifier (InChI) from structures
For the ACD/Name group of products, version 9.0, we have implemented the InChI Protocol. ACD/Name Batch can generate an average of 5000 InChI codes per minute.
Support multi-parent fused systems with two main components
In version 9.0, nomenclature generation for fused systems with several senior components is now available, specifically name generation for systems with a single interparent component and additional attachments to the senior components. In version 8.0, naming of any multi-parent fused systems was not supported.
Augmented ease-of-use
- New preference option - capitalization of the first letter in the chemical name is now available.
- "Estimated Time Left" progress indicator helps users estimate time needed to finish naming of their file.
ACD/Chemical Name Batch products have the same improvements in naming as ACD/Name:
- Produce structure and source based names for polymer structures
- Generate names of coordination compounds including:
- Neutral and anionic compounds
 - and  -conventions to specify a coordination- cyclopentadienyl complexes like ferrocenes
- Expanded naming of natural and biochemical compounds to include:
- Porphyrins, phthalocyanines, porphyrazines, and phorbines
- Nucleotides and nucleosides
In addition to the general improvement of naming, version 8.0 of ACD/Labs Chemical Naming Batch products allows users to input structures and generated names directly into ACD/ChemFolder databases while working with MDL ISIS database files and SDfiles.
New Features!
- Ability to generate names for radicals and charged structures
- Improvements for naming natural products and biochemicals such as the ability to name N-glycosides, cyclic peptides, and epoxy- and cyclo-modifications of natural parents
- Possibility to generate only one name if several names are possible by choosing an appropriate preference
For more details on the recent improvements in the algorithm, please refer to ACD/Name What's new
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