Review




Structured Review

Case Systems case software webcocon
<t>WebCocon</t> uses a two-stage workflow. The first stage begins with the input file creation (on the client) followed by the Cocon run, which generates a list of connectivity sets, each set representing one constitution. In the second stage, this set of connectivities is converted into 2D/3D molecular information ranking the candidates that can be visualized on the client. The second stage can be repeated using any of the (currently four) processing methods available.
Case Software Webcocon, supplied by Case Systems, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/software+based+on+the+contin+algorithm/pmc08398166-205-16-7?v=Case+Systems
Average 90 stars, based on 1 article reviews
case software webcocon - by Bioz Stars, 2026-08
90/100 stars

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1) Product Images from "Incorporation of 4 J -HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon"

Article Title: Incorporation of 4 J -HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon

Journal: Molecules

doi: 10.3390/molecules26164846

WebCocon uses a two-stage workflow. The first stage begins with the input file creation (on the client) followed by the Cocon run, which generates a list of connectivity sets, each set representing one constitution. In the second stage, this set of connectivities is converted into 2D/3D molecular information ranking the candidates that can be visualized on the client. The second stage can be repeated using any of the (currently four) processing methods available.
Figure Legend Snippet: WebCocon uses a two-stage workflow. The first stage begins with the input file creation (on the client) followed by the Cocon run, which generates a list of connectivity sets, each set representing one constitution. In the second stage, this set of connectivities is converted into 2D/3D molecular information ranking the candidates that can be visualized on the client. The second stage can be repeated using any of the (currently four) processing methods available.

Techniques Used:

Based on the theoretical NMR correlation data set for 1 , WebCocon generates the two alternative constitutions 1 -2 and 1 -3.
Figure Legend Snippet: Based on the theoretical NMR correlation data set for 1 , WebCocon generates the two alternative constitutions 1 -2 and 1 -3.

Techniques Used:

Number of solutions generated by  WebCocon  , depending on the 4 J correlations included in the data set, number of allowed 4 J correlations in structure generation, and computer time used (averaged over three runs, on an Intel Core i7-3770 processor system).
Figure Legend Snippet: Number of solutions generated by WebCocon , depending on the 4 J correlations included in the data set, number of allowed 4 J correlations in structure generation, and computer time used (averaged over three runs, on an Intel Core i7-3770 processor system).

Techniques Used: Generated

Constitutional proposals for oxocyclostylidol ( 2 ) generated by WebCocon . For the data set without 4 J correlations ( A0 ) and three data sets with one 4 J correlation ( B1 , D1 , and E1 ), four constitutions were found ( 2 -1, 2 -2, 2 -3, and 2 -6); for data set C1 , all six structures were generated. In the proposals 2 -4 and 2 -5, the 4 J -HMBC correlation H-7/C-3 (red arrows) was fulfilled as HMBC correlation and the HMBC correlation H-8/C-6 (blue arrows) was interpreted as 4 J -HMBC correlation.
Figure Legend Snippet: Constitutional proposals for oxocyclostylidol ( 2 ) generated by WebCocon . For the data set without 4 J correlations ( A0 ) and three data sets with one 4 J correlation ( B1 , D1 , and E1 ), four constitutions were found ( 2 -1, 2 -2, 2 -3, and 2 -6); for data set C1 , all six structures were generated. In the proposals 2 -4 and 2 -5, the 4 J -HMBC correlation H-7/C-3 (red arrows) was fulfilled as HMBC correlation and the HMBC correlation H-8/C-6 (blue arrows) was interpreted as 4 J -HMBC correlation.

Techniques Used: Generated



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