Machine learning challenges for determination of association constant between a cyclodextrin and a guest

Gökhan Tahil (1, 2) , Fabien Delorme (1) , Daniel Le Berre (1) , Eric Monflier (2) , Adlane Sayede (3) , Sébastien Tilloy (2)

1 CRIL - Centre de Recherche en Informatique de Lens
2 UCCS Équipe Catalyse Supramoléculaire
3 UCCS Équipe Couches Minces & Nanomatériaux

Domains: Artificial Intelligence [cs.AI]; Organic chemistry

Gökhan Tahil, Fabien Delorme, Daniel Le Berre, Eric Monflier, Adlane Sayede, et al.. Machine learning challenges for determination of association constant between a cyclodextrin and a guest. 20^èmes Journées Cyclodextrines, Oct 2022, Lille, France. ⟨hal-03954803⟩