Computer-assisted structure elucidation: Difference between revisions

Revision as of 22:19, 5 December 2021

Revision as of 22:27, 5 December 2021

Line 8:

, SENECA <ref>{{cite journal |last1=Steinbeck |first1=Christoph |title=SENECA: A platform-independent, distributed, and parallel system for computer-assisted structure elucidation in organic chemistry |journal=Journal of Chemical Information and Computer Science |date=Nov-Dec 2001 |volume=41 |issue=6 |pages=1500-1507 |doi=10.1021/ci000407n}}</ref>

, COCON <ref>{{cite journal |last1=Lindel |first1=Thomas |last2=Junker |first2=Jochen |last3=Köck |first3=Matthias |title=2D-NMR-Guided Constitutional Analysis of Organic Compounds Employing the Computer Program COCON |journal=European Journal of Organic Chemistry |date=1999 |pages=573-577}}</ref>

<ref>{{cite journal |last1=Köck |first1=Matthias |last2=Lindel |first2=Thomas |last3=Junker |first3=Jochen |title=Incorporation of 4J⁴''J''-HMBC and NOE Data into Computer-Assisted Structure Elucidation with WEBCOCON |journal=Molecules |date=Aug 2021 |volume=26 |issue=16 |page=4846 |doi=10.3390/molecules26164846}}</ref>

, CMC-se <ref>{{cite journal |last1=Kessler |first1=Pavel |last2=Godejohann |first2=Markus |title=Identification of tentative marker in Corvina and Primitivo wines with CMC-se |journal=Magnetic Resonance in Chemistry |date=June 2018 |volume=56 |issue=6 |pages=480-492 |doi=10.1002/mrc.4712}}</ref>

, and Structure Elucidator <ref>{{cite journal |last1=Elyashberg |first1=Mikhail |last2=Williams |first2=Antony |title=ACD/Structure Elucidator: 20 Years in the History of Development |journal=Molecules |date=Nov 2021 |volume=26 |issue=21 |page=6623 |doi=10.3390/molecules26216623}}</ref>.