화학공학소재연구정보센터
Journal of the American Chemical Society, Vol.123, No.10, 2127-2133, 2001
The importance of model studies in computational organic synthesis
We explore a model, the "synthesis engine", for synthesis of arbitrarily complex organic structures in the context of Library construction of Grignard cycle compounds. We use the simplest possible governing logic and show that random synthesis produces an extremely uneven distribution of products over several target structure types. We show that the question of "synthetic power" may be addressed computationally in this model system.