Papers of the day   All papers

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules


Oct 24 2019 Google AI

Our research team is using graph neural networks to predict the olfactory properties of molecules, expanding our understanding of smell & odor, with potential applications ranging from odorant synthesis to scent digitization. Learn more at
21 replies, 1504 likes

Oct 28 2019 DataScienceNigeria

What is SMELLING @GoogleAI? Artificial Intelligence can use graph neural networks to identify molecules & predict smells by understanding the relationship between a molecule’s structure & its odour using structure-odor relationship (QSOR) modeling. Read
1 replies, 78 likes

Oct 24 2019 hardmaru 😷

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules 👃🏻
1 replies, 78 likes

Oct 24 2019 Alan Aspuru-Guzik

Happy to be part of this research on smell prediction with Alex Wiltschko @beangoben and Jennifer Wei. The GIF for the GNN are epic in this blog post. @UofT @VectorInst @CIFAR_News @chemuoft @UofTCompSci Paper here
2 replies, 67 likes

Oct 24 2019 Alan Aspuru-Guzik

Want to know about QSOR? Quantitative Structure -Odor relationships? Check out our new paper with @GoogleAI @beangoben Jennifer Wei Brian Lee and Alex Wiltschko ! A Google-led paper that explores the boundaries of what is possible ! Honored to be involved
3 replies, 57 likes

Oct 24 2019 WIRED Science

The science of smell lags behind many other fields. But researchers at Google Brain have a new breakthrough: they trained machine-learning algorithms to predict molecules’ smell based on their structures. This could help answer long-standing questions.
2 replies, 56 likes

Oct 28 2019 bayo adekanmbi

From facial to olfactory identity! Aligned with the sensory perception by IBM & Symrise fragrance. Awesome to see “smell” treated like a multi-label classification & novel concept of “odor embedding,” similar to RGB’s treatment as an embedding for vision. I can SMELL the future!
0 replies, 54 likes

Oct 24 2019 Eric Topol

—OK, but how it will it smell? —Let me ask the machine ;-) @googleAI #AI @UofT @UofTCompSci @VectorInst by Alexander Wiltschko and colleagues
1 replies, 19 likes

Oct 26 2019 Daisuke Okanohara

Graph NN can predict odor from a molecule's structure better than existing methods, and provide a meaningful odor space where similar scents are clustered. Similar to visual and auditory senses, NN can (at least) simulate smell sense.
0 replies, 10 likes

Oct 25 2019 Joel Mainland

2/3 A new preprint uses graph neural networks to turn molecular structure into vectors. The representation they learned from GoodScents and Leffingwell databases performed well on a very different task--the DREAM Olfaction Challenge.
1 replies, 8 likes

Oct 29 2019 Alex Zhavoronkov

This was my dream for a very long time but unfortunately, we need to focus on drugs. Glad to see Ben and @A_Aspuru_Guzik explore this space first. Kudos to the luchadores, great paper!
0 replies, 4 likes

Oct 24 2019 Machine Learning: Science and Technology

Great new work from the group of @MLSTjournal Editorial Board member @A_Aspuru_Guzik @GoogleAI
0 replies, 3 likes

Oct 24 2019 Brundage Bot

Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules. Benjamin Sanchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin, Alán Aspuru-Guzik, and Alexander B. Wiltschko
1 replies, 1 likes