Edge Article
SynAsk: unleashing the power of large language models in organic synthesis
SynAsk is a chemistry-specific LLM platform, fine-tuned with domain data and integrated with in-house tools. It supports tasks like reaction prediction, retrosynthesis, and literature retrieval, advancing organic synthesis research.
Edge Article
TcESTIME: predicting high-temperature hydrogen-based superconductors
TcESTIME predicts critical temperatures of hydrogen-based superconductors from DFT electronic properties in a matter of seconds, integrating a complex-network algorithm, machine learning fit, and a user-friendly web interface.
Edge Article
Probing the water adsorption and stability under steam flow of Zr-based metal–organic frameworks using 91Zr solid-state NMR spectroscopy
The stability of metal–organic frameworks (MOFs) in the presence of water is crucial for a wide range of applications, including the production of freshwater, desiccation, humidity control, heat pumps/chillers and capture and separation of gases.
Edge Article
Allosteric release of cucurbit[6]uril from a rotaxane using a molecular signal
Repulsions between portals of cucurbit[n]urils are sufficiently strong to unlock the rotaxane structure.
About this collection
This collection includes all the articles featured on the covers of Chemical Science in 2025.
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