2 papers
physics.chem-ph2025
Motional representation; the ability to predict odor characters using molecular vibrations
Yuki Harada, Shuichi Maeda, Junwei Shen +3
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 (C…
cs.LG2024
A simple DNN regression for the chemical composition in essential oil
Yuki Harada, Shuichi Maeda, Masato Kiyama +1
Although experimental design and methodological surveys for mono-molecular activity/property has been extensively investigated, those for chemical composition have received little…