a reliable chemical name conversion and mining engine
ChemAxon offers a powerful naming engine that can convert chemical and biochemical structures and names in various formats bi-directionally. In addition to IUPAC and traditional name support, it also recognizes common names and CAS registry numbers. It can reference a local user customizable dictionary or a web service to convert corporate IDs, or arbitrary texts to structures. Chinese name to structure support was added since version 5.12; Japanese support is now available in version 6.3.
Reliable chemical name conversion
Structure to Name Conversion – IUPAC, common namesNaming allows the user to generate an IUPAC name from a structure according to the latest IUPAC conventions. In addition, traditional names can also be generated if applicable. Radicals, natural products, or peptide sequences are also supported.
Name to Structure Conversion – IUPAC, common names, CASSupported names:
- IUPAC name (English, Chinese and Japanese)
- Systematic names
- Common names
- Drug commercial names
- CAS name
- CAS registry number (via a public webservice)
Asian Language SupportTo accommodate the fast growing scientific literature in Asian language, ChemAxon has released Chinese and Japanese Name to Structure (CN2S, JN2S) conversion tool. It is not only an enhancement to our Naming engine, but also to other products (e.g. Document to Structure) powered by Naming. With CN2S and JN2S, extracting chemical information from Chinese and Japanese literature is now achievable.
With CN2S, extracting chemical information from Chinese literature is now achievable.
User Customizable DictionaryHave a list of obscure common names not in our dictionary? Or want to convert corporate compound IDs to structures? No problem. Naming supports User Customizable dictionary import. SMILES and customized texts can be stored in a local file, and Naming can reference this information for the conversion. Starting with version 5.12, Naming can also call a webservice for customized conversions.
Use Naming with Other Products
Naming in MarvinSketchIn the Sketching Tool MarvinSketch, IUPAC names can be interactively generated and displayed on the canvas. Both IUPAC and traditional names can also be generated and visualized in a separate window.
Batch Conversion of Chemical Names
Batch conversion of a large collection of structures to names or names to structures can be achieved in various ways. In all cases, all formats supported by Marvin are acceptable as input. Names and structures can be automatically generated into columns in Instant JChem and JChem for Office. Our SharePoint add-on, JChem for SharePoint, also uses Naming to index chemical information from SharePoint documents. When using Naming with other ChemAxon products a separate naming license will be required.
In an Oracle database, names and structures can be automatically converted using JChem Cartridge. The Naming engine can also be applied via the Marvin API in customized applications. Within Workflow Tools: Naming is available for workflow tools, such as Pipeline Pilot and KNIME Within Our Partners’ Applications: Naming has been implemented into our partners’ applications. For example, Linguamatics and ChemAxon have been working together in the ChiKEL project to enhance text mining in chemistry.