相关论文: Machine learning for smell: Ordinal odor strength …
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…
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…
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…
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…
Here we introduce the Olfactory Perception (OP) benchmark, designed to assess the capability of large language models (LLMs) to reason about smell. The benchmark contains 1,010 questions across eight task categories spanning odor…
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…
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…
The prediction of odor characters is still impossible based on the odorant molecular structure. We designed a CNN-based regressor for computed parameters in molecular vibrations (CNN\_vib), in order to investigate the ability to predict…
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…
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…
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…
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…
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…
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…
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…
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…
The olfactory sense measures the chemical composition of the environment using a diverse array of olfactory receptors. In vertebrates, the olfactory receptors reside in a mucus layer in the nasal cavity and can thus only detect odorants…
Molecular communication (MC) has promising potential and a wide range of applications. However, odor-based communication which is common in nature, has not been sufficiently examined within the context of MC, yet. In this paper, we…