Research Theme
Exploratory Science
Our exploratory science team explores prototypes and possible areas of research.
The team contributes to publication outputs and conducts early exploration work investigating the viability of research directions that will support our mission to drive forward structural science.
Selected Publications
The Intermolecular Interactions of Organic Fluorine Seen in Perspective
Jason C. Cole, Robin Taylor
Colourful 4,4-Bipyridine-Squaric Acid Multicomponent Complexes with Varying Degrees of Proton Transfer: Exploring the Nature of New Form IV in the Salt Co-crystal Continuum
Joanna Stevens
One class classification as a practical approach for accelerating π–π co-crystal discovery
Aikaterini Vriza, Angelos B. Canaj, Rebecca Vismara, Laurence J. Kershaw Cook, Troy D. Manning, Michael W. Gaultois, Peter A. Wood, Vitaliy Kurlin, Neil Berry, Matthew S. Dyer, Matthew J. Rosseinsky
Prior Likelihoods and Space Group Preferences of Solvates
Jason C Cole, Paul R. Raithby and Robin Taylor
Identifying and characterizing translationally modulated molecular crystal structures
Carolyn Pratt Brock, Robin Taylor
Increasing the performance, trustworthiness and practical value of machine learning models: a case study predicting hydrogen bond network dimensionalities from molecular diagrams
Andre Paulo Frade, Patrick McCabe, Richard Ian Cooper