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Technical Info (Name to Structure)

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ACD/Name Batch

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ACD/Name

Comparisons

ACD/Labs Nomenclature software has been long regarded as the gold standard in chemical naming, with the reputation of delivering the highest quality and widest chemical coverage on the market. Year after year, we have been working on maintaining and increasing this differentiating quality of our software, adding new chemical classes, addressing specific naming challenges, augmenting the accuracy of the algorithms, and more. You can review the progression of the products on the pages deducted to the new features of each software release (see also What's New at the left hand navigation bar).

We also conduct rigorous test of our software versus other naming algorithms available on the market. Summary of our recent nomenclature generation comparison is presented below. Five naming programs have been evaluated: ACD/Name 9.0, ChemDraw Ultra 10.0, OpenEye Lexichem, MDL (Beilstein) AutoNom 2000, and ChemInnovation Nomenclator 6.0. You can request the complete document, that also covers the Name-to-Structure functionality, by emailing our account mangers or distributors at sales@acdlabs.com

The Table below summarizes our comparison findings in a test of compounds of a varying degree of complexity with specific structural characteristics. The marks were assigned as follows:

0 -The specified class is not supported. No chemical name is generated
1 - Only basic naming procedures are supported. Correct names are generated for only the simplest structures of this type
2 - All basic procedures are supported. Correct names are generated for the simple cases of this type
3 - Many procedures are supported. Correct names are generated for all simple cases and some advanced ones
4 - Most procedures are supported. Correct names are generated for the most common representatives of this class
5 - All (or almost all) naming procedures are supported. Names are generated for almost any structure of this class including the complex cases
Naming Category Example of Structure ACD/Name ChemDraw OpenEye AutoNom Nomenclator
Biochemical nomenclature 4 1 1 1 1
Functional Groups 5 4 3 3 3
Replacement ("a") nomenclature 4 4 1 1 1
Multiplicative nomenclature 5 5 1 1 1
Von Baeyer polycycles 5 3 1 4 5
Spiro polycycles 5 2 2 4 3
Fused and bridged fused systems 5 3 2 3 4
Ring assemblies 5 3 1 4 1
Multicomponent structures 5 5 4 1 0
Organometallic compounds 4 1 1 0 0
Total score   47 31 17 22 19
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This page was last updated 31 October 2007
 

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