A new AI is learning the secret strategies chemists use to create molecules and accelerate medical discoveries.
Abstract: Retrosynthesis prediction is a fundamental problem in organic chemistry and drug synthesis. We proposed an end-to-end deep learning model called CTsynther (Contrastive Transformer for single ...
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AI is becoming every chemist’s lab partner
New AI assistant: EPFL's Synthegy uses large language models to guide retrosynthesis and reaction mechanism planning through plain-language instructions, aligning computational routes with chemists’ ...
Creating complex molecules usually requires years of experience and countless decisions, but a new AI system is changing that ...
Artificial intelligence is rapidly reshaping chemistry education, from personalized tutoring and interactive labs to advanced reaction modeling. Students now have access to AI tools that explain ...
Chemspeed Technologies, a specialist in laboratory automation solutions, has formed a strategic partnership with iktos, a developer of AI-driven robotics for drug discovery. Under the partnership, the ...
We are seeking a highly motivated Postdoctoral Researcher to join our interdisciplinary team focused on Artificial Intelligence (AI)-driven retrosynthesis and reaction prediction. The successful ...
Retrosynthesis analysis is an important task in organic chemistry with numerous industrial applications. Previously, machine learning approaches employing natural language processing techniques ...
Predicting reactants from a specified core product remains a critical challenge in retrosynthesis prediction. While semi-template-based and graph-edit-based methods have shown promising results in ...
IBM researchers have added enzymatic reactions to their artificial intelligence–powered synthesis planning software RXN. The algorithm can work backward to propose series of reactions that use enzymes ...
Chemical synthesis is essential in developing new molecules for medical applications, materials science, and fine chemicals. This process, which involves planning chemical reactions to create desired ...
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