Predicting human odor perception represented by continuous values from mass spectra of essential oils resembling chemical mixtures.

ABSTRACT: There have been recent advances in predicting odor characteristics using molecular structure parameters of chemicals. Although the molecular structure parameters are available for each chemical, they cannot be used for chemical mixtures. This study will elucidate a computational method of predicting human odor perception from the mass spectra of chemical mixtures such as essential oils. Furthermore, a method for obtaining similarity among odor descriptors has been proposed although the dataset contains binary values only. When the database indicates a set of odor descriptors for one sample, only binary data are available and the correlation between the similar descriptors disappears. Thus, the prediction performance degrades for not considering the similarity among the odor descriptors. Si

SUBMITTER: Debnath T 

PROVIDER: S-EPMC7304616 | biostudies-literature | 2020

REPOSITORIES: biostudies-literature