The SYNGEN approach to synthesis design

In a systematic approach to the synthesis tree, the SYNGEN program first finds all convergent assembly plans for the target skeleton, i.e., all possible bondsets with no more than six bonds cut, from actual starting material skeletons. For each of these it then generates all possible sequential construction routes from real starting materials. These are “ideal syntheses”, the shortest synthetic routes. The output is displayed in graphics format with a flexible variety of modes for pruning to find the optimal choices in terms of real chemistry, with an interface to reaction databases (REACCS, SYNLIB) to locate literature precedents.