Communications Chemistry
An open access journal from Nature Portfolio publishing high-quality research, reviews and commentary in all areas of the chemical sciences.
A New Electrolyte for Molten Carbonate Decarbonization" - Transformative Research for CO2 Removal
"A New Electrolyte for Molten Carbonate Decarbonization," an advancement in decarbonization technology targeting the urgent need for large-scale carbon dioxide removal to combat climate change. Reshape how we approach carbon sequestration and graphene nanocarbon (GNC) production.
Photoreactive fragment pharmacophores explore potential binding sites and provide hits for highly challenging drug targets
Photoaffinity-tagged fragments are increasingly used for convenient hit detection and binding site mapping in early drug discovery. We tackled two important challenges by maximizing the pharmacophore diversity of the core fragments, and by enhancing the labelling efficiency of the photoaffinity tag.
Controlling enzyme hydrolysis of branched polymers synthesised using transfer-dominated branching radical telomerisation via telogen and taxogen selection
Here we introduce some of the people and thought processess involved as the Rannard research group, based at the University of Liverpool, attempts to push our new technology into the world of sustainable polymer science
Which algorithm is just right for my data?
Artificial intelligence is impacting research and drug discovery and such techniques have been developed and applied for decades for structure activity analysis. Yet the question of which algorithm to use and how many molecules are needed is still an open one. We found a Goldilocks zone may apply.
Fast and effective molecular property prediction with transferability map
Transfer learning improves molecular property prediction in limited datasets, yet suffers from negative transfer due to insufficient relatedness. We develop a principal gradient-based measurement to evaluate transferability before applying transfer learning, significantly improving the performance.
