ChemWindow is a chemical structure drawing molecule editor and publishing program now published by John Wiley & Sons as of 2020,[1] originally developed by Bio-Rad Laboratories, Inc.[2][3] It was first developed by SoftShell International in the 1990s.[4] Bio-Rad acquired this technology in 1996 and eventually made it part of their KnowItAll software product line, offering a specific ChemWindow edition of their software for structure drawing and publishing.[5] They have also incorporated ChemWindow structure drawing components into their KnowItAll spectroscopy software packages with their DrawIt, ReportIt, and MineIt tools.[6]

Stable release
2021 / 2021
Available inEnglish, Chinese, Japanese, German, French

Features edit

  • 2D chemical structure drawing (includes stereochemical recognition)[7][8]
  • Scientific publishing / reporting tools
  • 3D ViewIt Input and visualization of 3D structures[4]
  • Portal with useful links for user community
  • 3D presentations and 3D modeling, plus calculation of bond lengths, angles, etc.[9]
  • Build databases with structures and chemical property information[10]
  • Database searching (search structures and properties)
  • Data plotting and visualization
  • Laboratory Glassware Collection to document your experiments.
  • Chemical Engineering Collection for realistic process flow diagrams
  • Calculators for a) easy mole-to-mass conversion, b) calculation of mass from structure
  • Mass Fragmentation Tool
  • Multiple interface languages (English, Chinese, Japanese, German, French)
  • DEA Controlled Substance Prediction and Structure Classification[11]

References edit

  1. ^ "Press Release".
  2. ^ "Software review". Journal of Liquid Chromatography, Volume 15, Issue 14, 1992. via Taylor and Francis Online (subscription required)
  3. ^ Review of chemistry drawing software. Laboratory Microcomputer, Volumes 12-13
  4. ^ a b Journal of the Association of Official Analytical Chemists. The Association. 1991. p. 714.
  5. ^ Joyce, John [1] "Pittcon 2006 Informatics Review" "Scientific Computing" Rockaway, NJ, April, 2006. Retrieved 14 November 2012.
  6. ^ Johann Gasteiger; Thomas Engel (13 December 2006). Chemoinformatics: A Textbook. John Wiley & Sons. pp. 142–. ISBN 978-3-527-60650-4.
  7. ^ Applied Spectroscopy. Society for Applied Spectroscopy. 1993.
  8. ^ Larocque, Paul "Software to draw chemical structures (ChemWindow, by Softshell International Ltd.)", "Canadian Chemical News" Ottawa, June 1, 1996. Retrieved 14 November 2012.
  9. ^ Robert G. Mortimer (1999). Mathematics for Physical Chemistry. Academic Press. pp. 362–. ISBN 978-0-12-508340-9.
  10. ^ Günter Gauglitz; Tuan Vo-Dinh (6 March 2006). Handbook of Spectroscopy. John Wiley & Sons. pp. 1–. ISBN 978-3-527-60502-6.
  11. ^ "KnowItAll 2021 & ChemWindow Maintenance Release Available!". Wiley Science Solutions. Retrieved 2021-10-28.
  • Givan, Ray, "Quick on the Draw" "Scientific Computing World", Cambridge, UK, September, 2000.
  • Joyce, John [2] "Pittcon 2005 Informatics Review" "Scientific Computing" Rockaway, NJ, April, 2005. Retrieved 14 November 2012.
  • Li, Z.; Wan, H.; Shi, Y.; Ouyang, P. (2004). "Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch". J. Chem. Inf. Comput. Sci. 44 (5): 1886–1890. doi:10.1021/ci049794h. PMID 15446849.

External links edit

  • ChemWindow home page
  • archived ChemWindow Home Page