Synthon Model Of Organic Chemistry And Synthesis Design (lecture Notes In Chemistry)

One of the most interesting fields of mathematically oriented chemical research is the so-called computer-assisted organic synthesis design. These lecture notes elaborate the mathematical model of organic chemistry, which offers formal concepts for unambiguous description of computer algorithms for organic synthesis design including retrosynthesis and reaction mechanisms. All definitions and theorems are supplemented by many illustrative examples. The model is closely related to the course of thinking of organic chemists. These notes will be useful for all theoretically oriented organic chemists who are interested in mathematical modelling of organic chemistry and computer-assisted organic synthesis design. Front Matter....Pages N2-VI Introduction....Pages 1-3 The Molecular Graphs....Pages 4-43 S-Graphs and Synthons....Pages 44-72 The Applied Synthon Model....Pages 73-85 Mathematical Model of Synthon Reactions....Pages 86-136 The Synthon Model and Organic Synthesis....Pages 137-197 Conclusions....Pages 198-199 Back Matter....Pages 200-209 J. Koča ... [et Al.]. Includes Bibliographical References.