It is a very modern and practical idea. This paper collects association constant between a cyclodextrin and a guest molecule to use in machine learning techniques to predict new association constants possible. This process can save time, workload and requires samples of both molecules in future studies.
So trivial, still one of a kind idea and huge work behind. Congrats to Gökhan Tahıl, Daniel Le Berre, Eric MONFLIER, Adlane Sayede and Sébastien Tilloy for this modern work!
Curated Dataset of Association Constants between a Cyclodextrin and a Guest for Machine Learning by Gökhan Tahıl, Fabien Delorme, Daniel Le Berre, Eric Monflier, Adlane Sayede, Sebastien Tilloy :: SSRN