From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases. - Gary Tom; Cher Tian Ser; Ella M. Rajaonson; Stanley Lo; Hyun Suk Park; Brian K. Lee; Benjamín Sánchez-Lengeling (CoRR, 2025)

One Set to Rule Them All: How to Obtain General Chemical Conditions via Bayesian Optimization over Curried Functions. - Stefan P. Schmid; Ella M. Rajaonson; Cher Tian Ser; Mohammad Haddadnia; Shi Xuan Leong; Alán Aspuru-Guzik; Agustinus Kristiadi; Kjell Jorner; Felix Strieth-Kalthoff (CoRR, 2025)

CheMixHub: Datasets and Benchmarks for Chemical Mixture Property Prediction. - Ella M. Rajaonson; Mahyar Rajabi Kochi; Luis Martin Mejia Mendoza; Seyed Mohamad Moosavi; Benjamín Sánchez-Lengeling (CoRR, 2025)