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Retrieval of structures from a network database based on CAS number, formula, or name; Retrieval of information on a molecule based on a drawing; Symbols such as partial charge and radicals; Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format [2] Writing MDL Molfiles, CML, ChemDraw XML text format
ChemAxon Name <> Structure – ChemAxon IUPAC (& traditional) name to structure and structure to IUPAC name software. As used at chemicalize.org; chemicalize.org A free web site/service that extracts IUPAC names from web pages and annotates a 'chemicalized' version with structure images. Structures from annotated pages can also be searched.
The main structure of chemical names according to IUPAC nomenclature. The International Union of Pure and Applied Chemistry (IUPAC) has published four sets of rules to standardize chemical nomenclature. There are two main areas: IUPAC nomenclature of inorganic chemistry (Red Book) IUPAC nomenclature of organic chemistry (Blue Book)
Chemicalize is an online platform for chemical calculations, search, and text processing. [1] It is developed and owned by ChemAxon and offers various cheminformatics tools in freemium model: chemical property predictions, structure-based and text-based search, chemical text processing, and checking compounds with respect to national regulations of different countries.
IUPAC Nomenclature ensures that each compound (and its various isomers) have only one formally accepted name known as the systematic IUPAC name. However, some compounds may have alternative names that are also accepted, known as the preferred IUPAC name which is generally taken from the common name of that compound.
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein [1] [2] (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in 2011. [ 3 ]
The names "caffeine" and "3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione" both signify the same chemical compound. The systematic name encodes the structure and composition of the caffeine molecule in some detail, and provides an unambiguous reference to this compound, whereas the name "caffeine" simply names it.