Researchers have developed a framework that interprets chemical strategy as language, opening a new path for AI-assisted ...
AI guides molecular design by combining language models with traditional chemistry tools, helping plan reaction steps and ...
Researchers at EPFL have developed Synthegy, a framework that uses large language models to guide retrosynthesis and reaction mechanism planning in chemistry. By interpreting chemists’ ...
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Three new AI tools advance chemistry research
Researchers have introduced three separate AI-driven tools for chemistry: a natural language-guided retrosynthesis system, a generative antibiotic design model, and a paired protein interaction ...
Synthetic route design remains a critical bottleneck in small‑molecule drug discovery, especially as teams juggle complex targets, aggressive timelines, and sustainability expectations.
Retrosynthesis analysis is an important task in organic chemistry with numerous industrial applications. Previously, machine learning approaches employing natural language processing techniques ...
Abstract: 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 ...
I've successfully been able to install and operate chemformer from the GH repo using the scripts in the provided example_scripts directory (e.g., predict.sh), but I'm unable to find documentation ...
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 ...
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