ICSYNTH is a powerful computer aided synthesis design tool that enables chemists to generate synthetic pathways for a target molecule. It facilitates innovation by stimulating ideas for alternative or novel synthetic routes that otherwise may not be considered.

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.

Team-working functionality

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

On premise Installation

ICSYNTH can be installed behind your firewall. Read more here

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ICSYNTH: a way to make synthesis design smarter and more secure

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

Bringing Computer Assisted Organic Synthesis to Medicinal Chemistry

Planning your journey to get you there quicker and smarter

Introduction to ICSYNTH

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

Download further Information here

ICSYNTH Information Data Sheet

PDF, 602.2 KB

ICSYNTH Features Summary

ICSYNTH Route Design in the 21st Century

PDF, 1.29 MB

Publication in "OPR&D"

Click on our video for a tutorial on how to use ICSYNTH