Will computer-assisted synthesis design have an impact on organic chemistry?

ORGN 627

Johann Gasteiger, gasteiger@chemie.uni-erlangen.de, Computer-Chemie-Centrum, University of Erlangen-Nuremberg, Erlangen, 91052, Germany
The first efforts on developing computer systems for assisting chemists in the design of organic syntheses started nearly 40 years ago. However, it must be realized that no synthesis design system has yet found wide-spread use. The reasons for this are manifold and will be discussed. On the other hand, it also has to be stressed that many important developments in chemoinformatics – from the Beilstein database to reaction databases – can be traced back to research groups active in the development of synthesis design systems. Furthermore, methods have recently been developed that can greatly assist the organic chemist in planning their syntheses more efficiently and thus will have an impact on the way syntheses are being planned and performed.