{"about":{"site":"https://codewithpapers.app","non_affiliation":"Code with Papers and Syntology are not affiliated with, endorsed by, or sponsored by Papers with Code, Meta, or the pwc-archive mirror.","licence":"CC BY-SA 4.0","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","attribution":"https://codewithpapers.app/attribution","modified":"archive material modified by Syntology; see the attribution page"},"url":"/paper/olfactory-label-prediction-on-aroma-chemical","title":"Olfactory Label Prediction on Aroma-Chemical Pairs","arxiv_id":"2312.16124","date":"2023-12-26","proceeding":null,"authors":["Laura Sisson","Aryan Amit Barsainyan","Mrityunjay Sharma","Ritesh Kumar"],"abstract":"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 of single molecules, whereas in industry applications, perfumers and food scientists are often concerned with blends of many molecules. In this paper, we apply both existing and novel approaches to a dataset we gathered consisting of labeled pairs of molecules. We present graph neural network models capable of accurately predicting the odor qualities arising from blends of aroma-chemicals, with an analysis of how variations in architecture can lead to significant differences in predictive power.","url_abs":"https://arxiv.org/abs/2312.16124v2","url_pdf":"https://arxiv.org/pdf/2312.16124v2.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"olfactory-label-prediction-on-aroma-chemical","repo_url":"https://github.com/odor-pair/odor-pair","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":0,"framework":"pytorch","reach":null}],"tasks":[{"task_slug":"graph-neural-network","task_name":"Graph Neural Network"},{"task_slug":"prediction","task_name":"Prediction"}],"methods":[{"method_slug":"graph-neural-network","method_name":"Graph Neural Network"}],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"atlas_url":null,"mcp":null,"developers":"https://syntology.ai/developers"},"arxiv_metadata":null,"syntology_extracted_results":null}