公开(公告)号：US20240321405A1

公开(公告)日：2024-09-26

申请号：US18574450

申请日：2022-06-23

Applicant: BASF SE

Inventor： Oliver Sala ,  Florian Garlichs ,  Miriam Mathea ,  Rebecca Sure

IPC: G16C20/30 ,  G01N33/00 ,  G16C20/70

CPC classification number: G16C20/30 ,  G01N33/0001 ,  G16C20/70

Abstract: The present invention relates to a computer-implemented for quality assessment of aroma molecules using single-molecule olfactory predictions comprising (i) receiving input data, preferably via an input unit (10), of at least one set of odorant descriptions (A) obtained by olfactory prediction of an aroma molecule and a second set of odorant descriptions (B) obtained by human olfactory evaluation (ii) comparing the received set of odorant descriptions (A) obtained by olfactory prediction of the aroma molecule to the second set of odorant descriptions (B) obtained by olfactory prediction of the same aroma molecule (iii) determining quality of aroma molecule based on the discrepancy between the at least one set of odorant descriptions (A) obtained by olfactory prediction of the aroma molecule and the second set of odorant descriptions (B) obtained by human olfactory evaluation via a processing unit (20a) (iv) providing, preferably via an output unit (30), quality assessment results of the aroma molecule.

公开(公告)号：US20230360744A1

公开(公告)日：2023-11-09

申请号：US18023508

申请日：2021-08-31

Applicant: BASF SE

Inventor： Oliver Sala ,  Miriam Mathea ,  Rebecca Sure

IPC: G16C60/00 ,  G16C20/30 ,  G16C20/70

CPC classification number: G16C60/00 ,  G16C20/30 ,  G16C20/70 ,  C11B9/00

Abstract: The present invention relates to a method for generating or predicting temporal evaporation profiles of a fragrance product comprising a plurality of fragrance ingredients by determining the composition of the gas phase and/or condensed phase of the composition over time via quantum chemical calculations and displaying the temporal fragrance ingredient profile and/or the temporal odour families profile and/or any other temporal performance criteria profile (e.g. boost-retention) in order to visualize the temporal performance and olfactive perception of the fragrance product, a device for generating or predicting temporal evaporation profiles, computer program element controlling such a device and a computer readable medium having stored said computer program element.