ACD/Name to Structure Batch
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Chemical databases often rely on chemical nomenclature for data retrieval. However, chemists prefer to review the structure representation of the compounds to evaluate at a glance their functional characteristics. Recommended for nomenclature experts, registry database administrators, libraries, and cheminformatics departments, ACD/Name to Structure Batch helps populate libraries and databases with chemical structures.
ACD/Name to Structure Batch generates structures from systematic and non-systematic chemical names of general organic and select biochemical and inorganic compounds.
The batch version is able to:
- Process batches to re-create hundreds of thousands of structures in one session
- Convert CAS index and EC numbers into chemical structures*
- Create chemical structures from SMILES and InChI identifiers
- Run in unattended mode for hours
- Report warnings about possible ambiguities, without causing the program to stop
ACD/Name to Structure Batch is available for the Windows platform. The names can be provided as text files, MDL ISIS database or SDfiles, ACD/ChemFolder files, and text files with SMILES strings. Resulting structures can be saved into the original database, a new SDfile, or an ACD/ChemFolder file.
For additional technical details about the algorithms and preference settings, as well as reviews and comparisons, 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. ACD/Name to Structure Batch also includes a copy of ACD/ChemFolder databasing software.
*Structure drawing from CAS and EC numbers is possible only for compounds listed in ACD/Dictionary.
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