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1. WO2022043574 - METHOD FOR MONITORING OR VALIDATING FRAGRANCE COMPOSITIONS

Publication Number WO/2022/043574
Publication Date 03.03.2022
International Application No. PCT/EP2021/073989
International Filing Date 31.08.2021
IPC
G06Q 10/10 2012.1
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
QDATA PROCESSING SYSTEMS OR METHODS, SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES, NOT OTHERWISE PROVIDED FOR
10Administration; Management
10Office automation, e.g. computer aided management of electronic mail or groupware; Time management, e.g. calendars, reminders, meetings or time accounting
G06Q 10/04 2012.1
GPHYSICS
06COMPUTING; CALCULATING OR COUNTING
QDATA PROCESSING SYSTEMS OR METHODS, SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES, NOT OTHERWISE PROVIDED FOR
10Administration; Management
04Forecasting or optimisation, e.g. linear programming, "travelling salesman problem" or "cutting stock problem"
C11B 9/00 2006.1
CCHEMISTRY; METALLURGY
11ANIMAL OR VEGETABLE OILS, FATS, FATTY SUBSTANCES OR WAXES; FATTY ACIDS THEREFROM; DETERGENTS; CANDLES
BPRODUCING, e.g. BY PRESSING RAW MATERIALS OR BY EXTRACTION FROM WASTE MATERIALS, REFINING OR PRESERVING FATS, FATTY SUBSTANCES, e.g. LANOLIN, FATTY OILS OR WAXES; ESSENTIAL OILS; PERFUMES
9Essential oils; Perfumes
G16C 60/00 2019.1
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
60Computational materials science, i.e. ICT specially adapted for investigating the physical or chemical properties of materials or phenomena associated with their design, synthesis, processing, characterisation or utilisation
G16C 20/30 2019.1
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
CPC
A23L 27/00
AHUMAN NECESSITIES
23FOODS OR FOODSTUFFS; TREATMENT THEREOF, NOT COVERED BY OTHER CLASSES
LFOODS, FOODSTUFFS, OR NON-ALCOHOLIC BEVERAGES, NOT COVERED BY SUBCLASSES A23B - A23J; THEIR PREPARATION OR TREATMENT, e.g. COOKING, MODIFICATION OF NUTRITIVE QUALITIES, PHYSICAL TREATMENT
27Spices; Flavouring agents or condiments; Artificial sweetening agents; Table salts; Dietetic salt substitutes; Preparation or treatment thereof
C11B 9/00
CCHEMISTRY; METALLURGY
11ANIMAL OR VEGETABLE OILS, FATS, FATTY SUBSTANCES OR WAXES; FATTY ACIDS THEREFROM; DETERGENTS; CANDLES
BPRODUCING, e.g. BY PRESSING RAW MATERIALS OR BY EXTRACTION FROM WASTE MATERIALS, REFINING OR PRESERVING FATS, FATTY SUBSTANCES, e.g. LANOLIN, FATTY OILS OR WAXES; ESSENTIAL OILS; PERFUMES
9Essential oils; Perfumes
G06Q 10/04
GPHYSICS
06COMPUTING; CALCULATING; COUNTING
QDATA PROCESSING SYSTEMS OR METHODS, SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES, NOT OTHERWISE PROVIDED FOR
10Administration; Management
04Forecasting or optimisation, e.g. linear programming, "travelling salesman problem" or "cutting stock problem"
G06Q 10/10
GPHYSICS
06COMPUTING; CALCULATING; COUNTING
QDATA PROCESSING SYSTEMS OR METHODS, SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL, SUPERVISORY OR FORECASTING PURPOSES, NOT OTHERWISE PROVIDED FOR
10Administration; Management
10Office automation, e.g. computer aided management of electronic mail or groupware
G16C 20/30
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
30Prediction of properties of chemical compounds, compositions or mixtures
G16C 20/70
GPHYSICS
16INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
CCOMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
20Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
70Machine learning, data mining or chemometrics
Applicants
  • BASF SE [DE]/[DE]
Inventors
  • SALA, Oliver
  • MATHEA, Miriam
  • SURE, Rebecca
Agents
  • MAIWALD PATENTANWALTS- UND RECHTSANWALTSGESELLSCHAFT MBH
Priority Data
20193571.531.08.2020EP
Publication Language English (en)
Filing Language English (EN)
Designated States
Title
(EN) METHOD FOR MONITORING OR VALIDATING FRAGRANCE COMPOSITIONS
(FR) PROCÉDÉ DE SURVEILLANCE OU DE VALIDATION DE COMPOSITIONS DE PARFUM
Abstract
(EN) 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.
(FR) La présente invention concerne un procédé pour générer ou prédire des profils d'évaporation temporelle d'un produit parfumé comprenant une pluralité d'ingrédients de parfum par détermination de la composition de la phase gazeuse et/ou de la phase condensée de la composition au cours du temps par l'intermédiaire de calculs chimiques quantiques et par affichage du profil d'ingrédient de parfum temporel et/ou du profil de familles d'odeurs temporelles et/ou de tout autre profil de critère de performance temporelle (par exemple, rétention de suralimentation) afin de visualiser les performances temporelles et la perception olfactive du produit parfumé, un dispositif pour générer ou prédire des profils d'évaporation temporelle, un élément de programme d'ordinateur commandant un tel dispositif et un support lisible par ordinateur ayant stocké ledit élément de programme d'ordinateur.
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