can facilitate innovation by stimulating ideas for alternative or novel synthetic routes that otherwise may not be considered, for example shorter pathways or more economical reaction modifications.
After inputting the target, users can select different synthetic strategies depending on requirements. ICSYNTH
then automatically generates a multistep interactive synthesis tree – each node on the tree representing a precursor. The advantages are that the suggested reactions are based on, and linked to, published reactions (or their analogs) and the precursor availability is automatically checked in commercial catalogs. At the heart of ICSYNTH
is an algorithmic chemical knowledge base of transform libraries that are automatically generated from reaction databases. The number of transform libraries is only limited by the availability of validated reaction databases.
A significant advantage of ICSYNTH
s concept is the possibility of generating rapidly and straightforwardly in-house libraries of transforms based on companies’ proprietary and confidential reaction data (e.g. ELNs), for private use in their own ICSYNTH