Chemistry AI

Integration of Validated AI Tools in Chemistry Workflow


Recent advances in Machine Learning (ML) and Artificial Intelligence (AI) have led to exponential growth in their applications for chemistry. WuXi AppTec is a member of the MIT Machine Learning for Pharmaceutical Discovery and Synthesis Consortium. RSD is at the forefront of this revolution, collaborating with researchers globally to conduct thorough evaluations of available ML/AI tools. We integrate validated high performing chemistry tools to augment and diversify our synthetic planning, reaction feasibility evaluation, reaction conditions predictions, challenging structure assignments, etc.



Chemistry AI Tools: Retrosynthesis, Reaction Conditions, NMR Structure Assignment, etc

Effective integration of these powerful tools at every stage of our chemistry planning and execution enables us to provide the best customized services to our clients. 1,2



1Hoffmann, R.; Malrieu, J-P. Angew. Chem. Int. Ed. 10.1002/anie.201902527 (part A), 201910283 (part B), & 201910285 (part C).

2Denning, P.J.; Lewis, T.G. American Scientists, 2019, 107, #6, 34. See Level 4 Artificial Intelligence, “Multi-Agent Interactions”.



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