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An MDL Molfile is a file format for holding information about the atoms, bonds, connectivity and coordinates of a molecule.. The molfile consists of some header information, the Connection Table (CT) containing atom info, then bond connections and types, followed by sections for more complex information.
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.
These guidelines are necessarily quite technical, and are intended for editors with some experience of drawing chemical structure diagrams and reaction schemes. For a less technical overview of the issues involved, see Wikipedia:Molecular structure diagram.
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.
No description. Template parameters [Edit template data] Parameter Description Type Status H H no description Unknown optional D D no description Unknown optional Li Li no description Unknown optional B B no description Unknown optional C C no description Unknown optional N N no description Unknown optional O O no description Unknown optional Mg Mg no description Unknown optional Si Si no ...
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).
Protactinium-231 arises naturally from the decay of natural uranium-235, and artificially in nuclear reactors by the reaction 232 Th + n → 231 Th + 2n and the subsequent beta decay of 231 Th. It was once thought to be able to support a nuclear chain reaction, which could in principle be used to build nuclear weapons ; the physicist Walter ...
When a colored chemical sample is placed on a filter paper, the colors separate from the sample by placing one end of the paper in a solvent. The solvent diffuses up the paper, dissolving the various molecules in the sample according to the polarities of the molecules and the solvent. If the sample contains more than one color, that means it ...