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AI predicts chemicals’ smells from their structures

Artificial Intelligence Predicts Odors of Chemical Compounds Based on Their Structures

AI predict smell, Artificial Intelligence
Image Credit: Shutterstock.com/ goa novi

A computer-trained scent model has demonstrated an impressive ability to identify odors, surpassing human performance. Developed by researchers at the University of Pennsylvania’s Monell Chemical Senses Center and Osmo, a spin-out of Google DeepMind, the AI system can analyze odor molecules and describe them in human language, leading to the creation of a Principal Odor Map (POM).

To train the system, researchers fed it the molecular structure of 5,000 odorants and their corresponding descriptions, such as “minty” or “musty.” Additionally, 15 human panelists assessed 400 odors and provided 55 words to describe each scent.

The AI system not only matched human performance but also succeeded in olfactory tasks it wasn’t explicitly trained for, such as predicting odor strength. Furthermore, the system was used to map 500,000 odor molecules that had never been synthesized, a task estimated to take 70 person-years to complete manually.

The development of this scent model could have broad applications, including aiding in the creation of mosquito repellents, deodorizing products, and advancing our understanding of olfactory perception. The model’s success in describing and predicting odors has the potential to deepen our understanding of how the human brain processes scent information, shedding light on a long-standing enigma in olfaction research.

The development of this AI scent model represents a significant breakthrough in the field of olfaction research. Understanding how odor molecules are perceived by the human brain has long been a challenge due to the complexity of the olfactory system, which involves 400 olfactory receptors. This neural network-based system, with its Principal Odor Map, offers a new tool for investigating and understanding the nature of olfactory sensation.

The potential applications of this technology are diverse. Beyond helping researchers gain insights into how the brain processes scents, it could lead to the development of more effective odor-based products. For example, better mosquito repellents could be designed by tailoring scents that are unattractive to mosquitoes but pleasant for humans. Similarly, improvements in deodorizing products could arise from a deeper understanding of how odors are perceived and how to counteract them.

Additionally, this AI model’s ability to analyze and predict odor strength without explicit training suggests that it has the potential to be used in various industries where odor assessment is important, such as the fragrance and food industries. It could assist in the creation of perfumes, flavors, and scented products that are more finely tuned to human preferences.

Overall, this AI scent model not only advances our understanding of olfaction but also opens up new possibilities for applications in various fields where scent plays a crucial role. As researchers continue to explore the capabilities of this technology, it may lead to further innovations and discoveries in the world of smell and fragrance.

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