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A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format files. They are text files that represent multiple chemical structure records and associated data fields.
SDF is one of a family of chemical-data file formats developed by MDL; it is intended especially for structural information. "SDF" stands for structure-data format, and SDF files actually wrap the molfile (MDL Molfile) format. Multiple records are delimited by lines consisting of four dollar signs ($$$$). A key feature of this format is its ...
Chemical file format; C. CCP4 (file format) CDX Format; CDXML; Chemical Markup Language; Chemical table file; Crystallographic Information File; H. Hierarchical ...
Chemical reactions from the patent literature Chemical reaction SMILES, annotated procedures, characterization data, reference metadata Curated from patent literature "SaguaroChem". 4 July 2024. 2,091,105 SciFinder: Chemical Abstracts Service of American Chemical Society: organic, inorganic chemicals, proteins CASNo paid access only 130,000,000
The state of aggregation for thermodynamic purposes is the standard state, sometimes called the reference state, and defined by specifying certain conditions. The normal standard state is commonly defined as the most stable physical form of the substance at the specified temperature and a pressure of 1 bar or 1 atm.
The native file formats for ChemDraw are the binary CDX and the preferred XML-based CDXML formats. ChemDraw can also import from, and export to, MOL , SDF , and SKC chemical file formats. Plugins
The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
Chemical Markup Language (ChemML or CML) is an approach to managing molecular information using tools such as XML and Java. [1] It was the first domain specific implementation based strictly on XML , first based on a DTD [ 2 ] and later on an XML Schema , [ 3 ] the most robust and widely used system for precise information management in many areas.