ICSYNTH, from the DeepMatter™ company InfoChem, is a powerful computer-aided synthesis design tool that uses machine learning to generate sets of chemical rules (also known as transform libraries) from reaction databases. These rules are then used to suggest novel synthetic routes to a given target molecule, providing benefits such as shorter pathways or more economical reaction conditions. Read the introduction to ICSYNTH here.
While ICSYNTH can be run on a cloud server, when maximum security is paramount it can easily be installed entirely behind your organisation’s firewall. In sectors such as pharmaceutical R&D, where intellectual property is extremely valuable, this is a vital consideration to ensure that your data stays on site at all times.
In addition to transform libraries generated from published literature, ICSYNTH can integrate proprietary reaction data from your organisation’s databases and electronic lab notebooks. The software applies the same process to your own chemistry data that it uses to generate rules from published information, without the need to send that sensitive information outside your organisation: the whole process takes place securely within the firewalled installation. New data can be extracted from your ELNs on a regular basis and used to update your library of chemical rules, so it is always relevant to your current projects.
A second feature that adds value to in-house installations of ICSYNTH is the ability to add proprietary starting materials. For example, you may have an internal repository of precursor materials, or special arrangements with commercial suppliers. These proprietary materials and price lists can be listed in ICSYNTH in addition to the built-in chemical catalogues, allowing reaction schemes to be optimised based on materials that are unique to your lab. It may be that you already hold a precursor that allows an easier route to the product you require: ICSYNTH can find these shortcuts and save you time and money.
This combination of security and adaptability, with the power to tailor reaction schemes to your specific circumstances, makes ICSYNTH the natural choice for your laboratory. Find out how it can help make your chemistry faster and smarter here.