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Draw the structure, and save it as a ChemDraw file. If you drew the structure before applying any settings, then you need to select the object, open the “Object” menu and choose “Apply document settings from → ACS Document 1996”. Then save it as a PNG file, to be read by an image editor such as GIMP or IrfanView (see below for details).
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
Chemical structure of paclitaxel, trade name Taxol®. Date: February 2007: Source: Selfmade with ChemDraw. ... This image of a simple structural formula is ineligible ...
Optical chemical structure recognition (OCSR) is the translation of images that depict chemical structure information into machine-readable formats. [1] It addresses the challenge of translating chemical structures from graphical representations into their corresponding chemical formulas.
ACD/ChemSketch allows for both basic structure drawing and importation of 3D and 2D .MDL files from other molecular modelling programs. ChemSketch has been favorably compared to other molecular modelling software, especially ChemDraw, based on its ability to display a wide range of structural components and the ease of creating complex structures quickly.
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.
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 ]
Images composed of simple shapes, lines, and letters such as those below should be recreated using vector graphics as an SVG file. These have a number of advantages, such as making it easier for subsequent editors to edit them, enabling arbitrary scaling at high quality, and sharp high-resolution renderings for print versions.