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Predicting odor's pleasantness simplifies the evaluation of odors and has the potential to be applied in perfumes and environmental monitoring industry. Classical algorithms for predicting odor's pleasantness generally use a manual feature…

Machine Learning · Computer Science 2019-03-20 Danli Wu , Yu Cheng , Dehan Luo , Kin-Yeung Wong , Kevin Hung , Zhijing Yang

The olfactory system employs responses of an ensemble of odorant receptors (ORs) to sense molecules and to generate olfactory percepts. Here we hypothesized that ORs can be viewed as 3D spatial filters that extract molecular features…

Machine Learning · Computer Science 2024-12-13 Sergey Shuvaev , Khue Tran , Khristina Samoilova , Cyrille Mascart , Alexei Koulakov

Understanding how molecular structure gives rise to odor perception remains a long-standing challenge, with ongoing debate over whether olfaction is primarily governed by molecular shape, vibrational properties, or their interplay at the…

Materials Science · Physics 2026-04-14 P. Zanineli , E. V. C. Lopes , G. R. Schleder , L. N. Lemos , F. Crasto de Lima , A. Fazzio

Predicting olfactory perception directly from molecular structure is central to fragrance design that plays a role in a wide range of industries, such as perfumery, food and beverage, and health care. Among olfactory attributes, odor…

Chemical Physics · Physics 2026-05-18 Peter Fichtelmann , Julia Westermayr

Studies of insect olfactory processing indicate that odors are represented by rich spatio-temporal patterns of neural activity. These patterns are very difficult to predict a priori, yet they are stimulus specific and reliable upon repeated…

Neurons and Cognition · Quantitative Biology 2007-05-23 M. I. Rabinovich , R. Huerta , A. Volkovskii , Henry D. I. Abarbanel , G. Laurent

Predicting the relationship between a molecule's structure and its odor remains a difficult, decades-old task. This problem, termed quantitative structure-odor relationship (QSOR) modeling, is an important challenge in chemistry, impacting…

Molecular odor prediction has great potential across diverse fields such as chemistry, pharmaceuticals, and environmental science, enabling the rapid design of new materials and enhancing environmental monitoring. However, current methods…

Machine Learning · Computer Science 2025-02-04 HongXin Xie , JianDe Sun , Yi Shao , Shuai Li , Sujuan Hou , YuLong Sun , Yuxiang Liu

One of the key challenges to predict odor from molecular structure is unarguably our limited understanding of the odor space and the complexity of the underlying structure-odor relationships. Here, we show that the predictive performance of…

Quantitative Methods · Quantitative Biology 2025-08-14 Akshay Sajan , Stijn Sluis , Reza Haydarlou , Sanne Abeln , Pasquale Lisena , Raphael Troncy , Caro Verbeek , Inger Leemans , Halima Mouhib

We present a generalized theoretical framework for olfactory representation and plasticity, using the theory of smooth manifolds and sheaves to depict categorical odor learning via distributed neural computation. Beginning with the space of…

Neurons and Cognition · Quantitative Biology 2023-10-13 Jack A. Cook , Thomas A. Cleland

We explore a suite of generative modelling techniques to efficiently navigate and explore the complex landscapes of odor and the broader chemical space. Unlike traditional approaches, we not only generate molecules but also predict the odor…

Machine Learning · Computer Science 2025-02-03 Mrityunjay Sharma , Sarabeshwar Balaji , Pinaki Saha , Ritesh Kumar

Olfactory perception plays a critical role in both human and organismal interactions, yet understanding of its underlying mechanisms and influencing factors remain insufficient. Molecular structures influence odor perception through…

Machine Learning · Computer Science 2025-02-04 HongXin Xie , JianDe Sun , Yi Shao , Shuai Li , Sujuan Hou , YuLong Sun , Jian Wang

We introduce and study an artificial neural network, inspired by the probabilistic Receptor Affinity Distribution model of olfaction. Our system consists on N sensory neurons whose outputs converge on a single processing linear threshold…

Disordered Systems and Neural Networks · Physics 2007-05-23 N. Caticha , J. E. Palo Tejada , D. Lancet , E. Domany

Navigation by scent is a capability in robotic systems that is rising in demand. However, current methods often suffer from ambiguities, particularly when robots misattribute odours to incorrect objects due to limitations in olfactory…

Robotics · Computer Science 2025-09-23 Kordel K. France , Ovidiu Daescu

Our sense of smell relies on sensitive, selective atomic-scale processes that are initiated when a scent molecule meets specific receptors in the nose. However, the physical mechanisms of detection are not clear. While odorant shape and…

Biological Physics · Physics 2015-06-26 Jennifer C. Brookes , Filio Hartoutsiou , A. P. Horsfield , A. M. Stoneham

Odor detection underpins food safety, environmental monitoring, medical diagnostics, and many more fields. The current artificial sensors developed for odor detection struggle with complex mixtures while non-invasive recordings lack…

Machine Learning · Computer Science 2025-08-14 Matin Hassanloo , Ali Zareh , Mehmet Kemal Özdemir

Given the structure of a novel molecule, there is still no one who can reliably predict what odor percept that molecule will evoke. The challenge comes from both the difficulty in quantitatively characterizing molecular structure, and the…

Neurons and Cognition · Quantitative Biology 2018-06-08 Daniel Kepple , Alexei Koulakov

In color vision, the quantitative rules for mixing lights to make a target color are well understood. By contrast, the rules for mixing odorants to make a target odor remain elusive. A solution to this problem in vision relied on…

Neurons and Cognition · Quantitative Biology 2019-06-19 Vijay Singh , Nicolle R. Murphy , Vijay Balasubramanian , Joel D. Mainland

Animal behavior and neural recordings show that the brain is able to measure both the intensity of an odor and the timing of odor encounters. However, whether intensity or timing of odor detections is more informative for olfactory-driven…

Quantitative Methods · Quantitative Biology 2021-06-17 Nicola Rigolli , Nicodemo Magnoli , Lorenzo Rosasco , Agnese Seminara

The sense of smell is an important part of living organisms. It assists with the interaction of the living organism with its environment. The mechanism by which smell is detected and identified is not fully known. Earlier, shape theory was…

Biological Physics · Physics 2019-11-07 Chukwuemeka Asogwa

Recordings from neurons in the insects' olfactory primary processing center, the antennal lobe (AL), reveal that the AL is able to process the input from chemical receptors into distinct neural activity patterns, called olfactory neural…

Neurons and Cognition · Quantitative Biology 2014-08-27 Eli Shlizerman , Jeffrey A. Riffell , J. Nathan Kutz
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