Simplified Molecular Input Line Entry System: Difference between revisions

Revision as of 01:25, 16 June 2023

Revision as of 02:05, 21 July 2023

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== Conversion ==

SMILES can be converted back to two-dimensional representations using structure diagram generation (SDG) algorithms.<ref name="Helson-1999">{{cite book | vauthors = Helson HE | year = 1999 | chapter = Structure Diagram Generation | title = Reviews in Computational Chemistry | veditors = Lipkowitz KB, Boyd DB |___location=New York |pages=313–398 |publisher=Wiley-VCH |doi=10.1002/9780470125908.ch6 |volume=13 | isbn = 978-0-470-12590-8 }}</ref> This conversion is notsometimes always unambiguousambiguous. Conversion to three-dimensional representation is achieved by energy-minimization approaches. There are many downloadable and web-based conversion utilities.

== See also ==