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From Molecules to Mixtures: Learning Representations of Olfactory Mixture Similarity using Inductive Biases

Gary Tom, Cher Tian Ser, Ella M. Rajaonson +4

Olfaction -- how molecules are perceived as odors to humans -- remains poorly understood. Recently, the principal odor map (POM) was introduced to digitize the olfactory properties…

cs.LG2024

Spiers Memorial Lecture: How to do impactful research in artificial intelligence for chemistry and materials science

Austin Cheng, Cher Tian Ser, Marta Skreta +8

Machine learning has been pervasively touching many fields of science. Chemistry and materials science are no exception. While machine learning has been making a great impact, it i…