Suggestions based on published reactions
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. Users can modify the synthesis tree or select precursors for further analysis
Chemical-rules based approach and Machine Learning
The ICSYNTH algorithm works with sets of chemical rules (also called transform libraries), automatically generated from reaction databases, using a machine learning approach. 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 installations.
ICSYNTH offers the possibility of analyzing results in projects by working in a team. This enables project managers to define user groups able to work on the same target molecule, adding comments and exchanging information directly in the web-application, saving time and making the team more efficient
READ MORE ABOUT ICSYNTH IN OUR BLOG
The combination of security and adaptability, with the power to tailor reaction schemes to your specific circumstances, makes ICSYNTH the natural choice for your laboratory
Planning your journey to get you there quicker and smarter
Find out how ICSYNTH and ICFRP combine algorithmic and artificial intelligence approaches to provide powerful computer-aided synthesis design tools, resulting in more efficient pathways towards target molecules.
"InfoChem's synthesis planning tool ICSYNTH supports us as an integral part of our synthesis route discovery process and already helped us solving tricky organic synthesis challenges. Moreover, it provides us with many – sometimes unconventional - ideas that we would not even have come up with ourselves."
Senior scientists in Flexible Discovery Unit and Chemical Development
GlaxoSmithKline GSK, Stevenage, UK
Click on our video for a tutorial on how to use ICSYNTH