A preliminary appraisal of selected problems in computer‐assisted organic synthesis
ZDZISŁAW S. HIPPE, Grzegorz Fic, Maria Mazur · Recueil des Travaux Chimiques des Pays-Bas · 1992
Abstract Some basic problems of contemporary computer‐assisted organic synthesis are briefly dealt with. The discussion (led from the point of view of computer science) mainly concerns the question of a solution space in organic synthesis and methods of artificial intelligence used to search it. Some features of systems assisting in organic synthesis, regarded as dedicated expert systems, are also commented on. An interactive strategy for development of an optimum synthetic tree is proposed. Finally, expected future trends in computer‐assisted organic synthesis and simulation (modeling) of organic reactions are briefly summarized.