Patcore has partnered with Chemical.AI to begin domestic handling of the AI retro-synthesis platform "ChemAIRS."

パトコア

Patcore Inc. (Headquarters: Tokyo) has partnered with Chemical.AI (USA/China), a global leader in AI technology for chemical synthesis route design, to begin domestic provision of the AI retro-synthesis platform "ChemAIRS." ChemAIRS is a platform where AI, equivalent to skilled chemists with over 10 years of experience, can automatically propose complex synthesis routes in just a few minutes. It enables the identification of chirality introduction risks, prediction of side reactions and impurities, and the design of highly feasible routes considering raw material availability, yield, and cost. Additionally, it seamlessly integrates with Chemaxon's "Design Hub," for which Patcore serves as the exclusive domestic distributor, accelerating the DMTA cycle in a one-stop manner. Currently, we are accepting applications for a two-week free trial. For more details about the product and to apply, please contact us through Patcore Inc.'s official website. ▶ Two-week free trial now available Try out its capabilities with the challenges in your research lab. ▼ ChemAIRS product page: https://patcore.com/product/chemairs

Date and time
Capital
Entry fee

Related product information

AI Synthesis Route Design and Process Optimization | ChemAIRS
Utilizing 80 million data points, we reduced the number of experiments by 50% and proposed the optimal synthesis route in just a few minutes!

**Main Features:** - Retro-synthetic Analysis: In addition to the automatic generation of AI-recommended routes, manual search mimicking a chemist's thought process is also possible. - Reaction Condition Search: Based on similar reactions, optimal catalysts and solvents are scored and presented. - AI Optimization: Global optimal solutions for yield, cost, and other factors are explored with minimal experiments. - Impurity Prediction: The structure of by-products is quickly identified from reaction mechanisms and MS data. - SA Score Evaluation: The synthetic accessibility of molecules is quantified to assist in prioritization before synthesis begins. Supported OS: Web browser-based (online version) or on-premises server (local version) Database Size: Approximately 80 million reaction data Integration Features (on-premises only): Internal ELN data, reagent data
Innovative drug discovery information platform 'Design Hub'
Design HUB is a groundbreaking information platform that integrates hypothesis-driven and data-driven approaches to streamline the DMTA cycle in drug discovery.

【Other Features】 <Integration of External Resources> ■ Customizable plugins based on JavaScript and a wealth of templates ■ Data integration with any service via REST, SQL, or CLI methods <Management of Ideas and Projects> ■ Organize and manage original data and discussion content by hypothesis ■ Save data used for analysis during the structural optimization phase as a design set ■ Visualize who is responsible for what and the progress status using a Kanban board *For more details, please refer to the PDF document or feel free to contact us.