Exploring the role of large language models in the scientific method: from hypothesis to discovery
Wang, H. et al. Scientific discovery in the age of artificial intelligence. Nature 620, 47–60 (2023). Google Scholar Alkhateeb, A....
models
Large language models to accelerate organic chemistry synthesis
Mendoza, A., Ishihara, Y. & Baran, P. S. Scalable enantioselective total synthesis of taxanes. Nat. Chem. 4, 21–25 (2012).Article Google...
Expert discusses roadmap for large language models in chemical research
Robert MacKnight and Gabe Gomes. Credit: Carnegie Mellon University College of Engineering In a Q&A, Gabe Gomes discusses the potential...
Rethinking chemical research in the age of large language models
The Fourth Paradigm: Data-Intensive Scientific Discovery (Microsoft Research, 2009).Meftahi, N. et al. Machine learning property prediction for organic photovoltaic devices....
How to make AI models more accurate: Embrace failure
A negative result doesn’t have to be a bad thing. In fact, a failed experiment can be as informative as...
Computational Chemistry Unlocked: A Record-Breaking Dataset to Train AI Models has Launched
A leap forward in AI models Scientists around the world can now begin training their own MLIPs on OMol25. They...
.jpg "IFW Dresden selects Agnitron Agilis 100 MOCVD platform for precursor chemistry and ultra-wide-bandgap materials development")
