Design of Fragrance Formulations with Antiviral Activity Using Bayesian Optimization.

ABSTRACT: In case of future viral threats, including the proposed Disease X that has been discussed since the emergence of the COVID-19 pandemic in March 2020, our research has focused on the development of antiviral strategies using fragrance compounds with known antiviral activity. Despite the recognized antiviral properties of mixtures of certain fragrance compounds, there has been a lack of a systematic approach to optimize these mixtures. Confronted with the significant combinatorial challenge and the complexity of the compound formulation space, we employed Bayesian optimization, guided by Gaussian Process Regression (GPR), to systematically explore and identify formulations with demonstrable antiviral efficacy. This approach required the transformation of the characteristics of formulations i

SUBMITTER: Zhang F 

PROVIDER: S-EPMC11356527 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature