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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 ...
Pages in category "Chemical file formats" ... CCP4 (file format) CDX Format; CDXML; Chemical Markup Language; Chemical table file; Crystallographic Information File; H.
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
chemical file format SMILES generation algorithm for ciprofloxacin : break cycles, then write as branches off a main backbone 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 .
XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and macOS. It is distributed under the GNU GPL . In Microsoft Windows this program is called WinDrawChem.
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.
Robert L. Lichter, then-Executive Director of the Camille and Henry Dreyfus Foundation, speaking in a plenary session at the 16th Biennial Conference on Chemical Education (recent BCCE meetings: ,), posed the question of why do terms like 'chemical educator' even exist in higher education, when there is a perfectly respectable term for this ...