ChemDraw
| ChemDraw
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 ChemDraw 13 |
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| Basic data
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| developer | PerkinElmer |
| Current version | 19.1 (April 13, 2020) |
| operating system | Windows , macOS |
| category | Graphics software |
| License | proprietary |
| German speaking | Yes |
| ChemDraw on perkinelmer.de | |
ChemDraw is a program for drawing chemical structures and reaction equations. The program was developed by the cheminformatics company CambridgeSoft and further developed by this company after the company was taken over by PerkinElmer in 2011. It is part of the ChemOffice package with Chem3D and ChemFinder. ChemDraw runs on Windows and macOS .
ChemDraw 12 program features
- Conversion of a chemical structure to a name
- Conversion of a chemical name to structure
- Simulation of NMR spectra ( 1 H and 13 C NMR)
- Simulation of MS spectra
- A large collection of structure templates and templates for most chemical journals
- Export from SVG (Windows)
- Export of PDF (Macintosh)
- Structure cleanup
File formats
ChemDraw supports the binary CDX and the XML- based CDXML format as native file formats . ChemDraw can also export and import files in MOL format, SDF format and ISIS Draw (SKC) format.
literature
- Mills, N .: ChemDraw Ultra 10.0 . In: J. Am. Chem. Soc. tape 128 , no. 41 , 2006, p. 13649-13650 , doi : 10.1021 / ja0697875 .
- Li, Z .; Wan, H .; Shi, Y .; Ouyang, P .: Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS / Draw, and ChemSketch . In: J. Chem. Inf. Comput. Sci. tape 44 , no. 5 , 2004, p. 1886-1890 , doi : 10.1021 / ci049794h , PMID 15446849 .
- Dieter Strack: ChemOffice Ultra 2000 . In: Phytochemistry . tape 57 , no. 1 , 2001, p. 144 , doi : 10.1016 / S0031-9422 (00) 00503-3 .
- Andreas Madlung: Digital Chemical Intelligence . In: Science . tape 285 , no. 5435 , 1999, p. 1866–1867 , doi : 10.1126 / science.285.5435.1866 .
- Bethany Halford: Reflections On ChemDraw . In: C&EN . tape 92 , no. 33 , 2014, pp. 26-27 ( acs.org ).
- David A. Evans: History of the Harvard ChemDraw Project . In: Angewandte Chemie International Edition . tape 53 , no. 42 , 2014, p. 11140–11145 , doi : 10.1002 / anie.201405820 .
Individual evidence
- ↑ Release Announcement - ChemOffice and ChemDraw v19.1. In: http://informatics.perkinelmer.com/ . Retrieved April 14, 2020 .