Leverage Big Data and Artificial Intelligence to transform research and development, and drive the innovation in the chemicals and pharmaceuticals industries
We invented the algorithm independently with data-driven approach after 8+ years’ R&D, combination of chemistry expertise and AI technology. The solution is developed by chemists and for chemists.
The system follows the workflow of routes planning as part of the research process. It enables to design synthetic routes in seconds to minutes, with high feasibility and diversity.
Facilitate valuable data (e.g. ELNs) integration and reaction prediction with custom algorithms. Synthetic accessibility evaluation and forward synthesis are in fast development.
Plan the routes with fast cost analysis or estimation seamlessly. It enables the price quotation and team sharing with automatically generated template-based reports.
Predict diverse routes for unreported/reported target molecules within minutes, considering stereochemistry
Make use of your experience and customize the routes by changing conditions or bond-broken positions
Refer to relevant literature for predicted reactions which considers similarity of reaction sites and types
Quickly start search on browser without installation. Easy to set parameters and check route details
Integrate your ELN data in local server to make the most of it while data security is promised
Export the routes as CDX or PDF or picture, share and discuss with your colleagues
According to users’ feedback, for most of target compounds, it only takes a few seconds to 5 minutes to find routes using Quick Search. For complex molecules, enhanced prediction capability will provide diverse routes using Advanced Search (up to 30 min). Functions for interactive route design can make use of your own experience to improve the predicted route. Furthermore, BBs/ELN integration can leverage both the AI tool and your internal data to improve the prediction results.
renewal clients
top pharmas/CROs
local deployed customers
online/local users
There are two versions: Free Version and Pro Version (recommended to use). After registering in this website, you can use the Free Version easily. For the Pro Version, please get in touch.
There are 3 basic differences between the two versions. a, Cutting-edge and update-to-date Algorithm for Pro Version with additional functions, such as chirality, reaction center and regioselectivity, etc. b, Reaction Data: Free version > 4M; Pro Version continues the update. c, Update: Free version updated to end of 2017, Pro version continues to update frequently.
Most target compounds (known or novel) can be completed in seconds to 5 minutes, while more diversity or high complex molecules will around 30 minutes.
Chemical.AI recently announced the completion of a Series A funding of more than 5 Million USD, led by Sequoia China Seed Fund, and with participation from Nest.Bio Ventures and existing...
Partnership will accelerate development of AI tools and enhance industry-available services such as next generation Computer Aided Synthesis Planning (CASP)
