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J05

Synthesis Design System SYNSUP

○Tetsuhiko Takabatake，Takashi Kawai，Akio Tanaka，Wataru　Katouda，Malcolm Bersohn（Department Chemistry, University of Toronto），Daniel Gruner（Department Chemistry, University of Toronto）

SYNSUP is an organic synthesis design system, which has been developed by our team since 1984. For a given target molecule it carries out a depth-first search in the synthesis tree non-interactively. To make it wide spread among organic chemists as a handy tool for synthesis planning, a user-friendly environment has been established. Once the user prepares the input data and submits the job by e-mail using CMBedit, our original graphic user interface, they have only to wait to receive the reply mail. A file attached to the mail includes proposed routes with corresponding literature references and purchasable chemicals' information. Proposed routes are examined using the output interface. In the map view mode, one can see the outline of the tree of synthesis routes. A click on the reaction arrow causes brief comments and the corresponding references to be shown in a separate window. When a reactant is purchasable the structure is displayed as surrounded by a box. One click produces the supplier's name and the catalog price. Communication between the system and the users is managed by a unique procedure, a combination of OpenPBS (Portable Batch System) and several Perl scripts.