相关论文: Machine Learning for Scent: Learning Generalizable…
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…
The application of deep learning techniques on aroma-chemicals has resulted in models more accurate than human experts at predicting olfactory qualities. However, public research in this domain has been limited to predicting the qualities…
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…
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…
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…
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 of single compounds. However, smells in real life are not…
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…
Molecular property prediction is of crucial importance in many disciplines such as drug discovery, molecular biology, or material and process design. The frequently employed quantitative structure-property/activity relationships…
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…
Advances in neural sensing technology are making it possible to observe the olfactory process in great detail. In this paper, we conceptualize smell from a Data Science and AI perspective, that relates the properties of odorants to how they…
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…
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…
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…
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…
Digital sensing faces challenges in developing sustainable methods to extend the applicability of customized e-noses to complex body odor volatilome (BOV). To address this challenge, we developed MORE-ML, a computational framework that…
This research introduces a Machine Learning-centric approach to replicate olfactory experiences, validated through experimental quantification of perfume perception. Key contributions encompass a hybrid model connecting perfume molecular…
Animals smelling in the real world use a small number of receptors to sense a vast number of natural molecular mixtures, and proceed to learn arbitrary associations between odors and valences. Here, we propose a new interpretation of how…
Neuromorphic computing is one of the few current approaches that have the potential to significantly reduce power consumption in Machine Learning and Artificial Intelligence. Imam & Cleland presented an odour-learning algorithm that runs on…
While visual and auditory information conveyed by wavelength of light and frequency of sound have been decoded, predicting olfactory information encoded by the combination of odorants remains challenging due to the unknown and potentially…
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…