CINF 77 |
| In our Template Assisted Notebook application it was a requirement to generate a total synthesis sketch for the registration of tests compounds. The sequence is gathered from ordinary notebook entries by looking at precursors until no further ones are found. The XML file exported from the MS-Word document will be exploited for all necessary information. The program will estimate the space requirements for the synthesis sequence to be arranged on a single page and calculate feasible scaling factors. In a next step it will virtually try to assemble the single steps in lines from left to right like words in a paragraph of text. If it is successful it will generate the layout as an ISIS Draw sketch. The sketch can be reorganized and improved if desired. |
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Advances in Reaction Informatics – New Tools and Technologies to Improve Synthesis Planning
9:00 AM-11:30 AM, Wednesday, 29 March 2006 Georgia World Congress Center -- B302, Oral
Division of Chemical Information |