# US 12,002,550 B2 · Method related to organic compositions > Agents: this data is available as JSON from the patentgrep API and MCP server — see https://patentgrep.com/llms.txt - Number: US 12,002,550 B2 - Document ID: US12002550B2 - Status: Granted - Kind: B2 - Application number: 17/055,461 - Filed: 2019-06-11 - Published: 2021-06-24 - Granted: 2024-06-04 - Earliest claimed: 2018-06-11 - Assignees: Givaudan SA - Applicants: Givaudan SA - Inventors: Dominique Lelievre; Calice Becker; Andreas Muheim - Web page: https://patentgrep.com/patent/US12002550B2 ## CPC - G06Q 10/06: Resources, workflows, human or project management; Enterprise or organisation planning; Enterprise or organisation modelling - G16C 20/30: Prediction of properties of chemical compounds, compositions or mixtures - C11B 9/00: Essential oils; Perfumes - G06F 3/0488: using a touch-screen or digitiser, e.g. input of commands through traced gestures - G06N 5/04: Inference or reasoning models - G16C 20/80: Data visualisation - G16C 60/00: Computational 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 - G06F 3/0482: Interaction with lists of selectable items, e.g. menus - G06Q 10/101: Collaborative creation, e.g. joint development of products or services - G16C 20/70: Machine learning, data mining or chemometrics - G06Q: INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES; SYSTEMS OR METHODS SPECIALLY ADAPTED FOR ADMINISTRATIVE, COMMERCIAL, FINANCIAL, MANAGERIAL OR SUPERVISORY PURPOSES, NOT OTHERWISE PROVIDED FOR - G16C: COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE - C11B: PRODUCING, 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 (drying-oils C09F) - G06F: ELECTRIC DIGITAL DATA PROCESSING (computer systems based on specific computational models G06N) - G06N: COMPUTING ARRANGEMENTS BASED ON SPECIFIC COMPUTATIONAL MODELS ## Abstract The present invention provides a computer-implemented method of predicting the temporal fragrance profile of a fragrance composition comprising a plurality of fragrance ingredients, the method comprising using a processor to: retrieve a diffusion measure of how fast each fragrance ingredient diffuses into a headspace; form groups of fragrance ingredients having the same or a similar diffusion measure; determine the olfactive contribution of each fragrance ingredient; calculate the total olfactive contribution of a group of fragrance ingredients as the sum of the olfactive contributions of all fragrance ingredients forming said group; and using a graphical user interface (GUI) to display the total olfactive contribution of each group of fragrance ingredients in the order of their respective diffusion measures to visualize the temporal fragrance profile of the fragrance composition. It further provides methods of adjusting and/or balancing the temporal fragrance profile of a fragrance composition. ## Claims ### Claim 1 A computer-implemented method of predicting a temporal fragrance profile of a fragrance composition comprising a plurality of fragrance ingredients, the computer-implemented method using a processor to: retrieve a diffusion measure of how fast each fragrance ingredient diffuses into a headspace; form groups of fragrance ingredients having a similar diffusion measure; determine an olfactive contribution of each fragrance ingredient; calculate a total olfactive contribution of a group of fragrance ingredients as a sum of the olfactive contributions of all fragrance ingredients forming the group; and using a graphical user interface (GUI) to visually depict or visualize a virtual olfactive fingerprint of the fragrance composition by displaying the total olfactive contributions of the groups of fragrance ingredients in an order that is based on the diffusion measures of the groups of fragrance ingredients. ### Claim 2 (depends on 1) The computer-implemented method of claim 1, wherein the diffusion measure of how fast each fragrance ingredient diffuses into the headspace is an equilibrium headspace concentration, a partial vapor pressure or vapor pressure, a retention time on a gas chromatograph, or a vapor liquid equilibrium (VLE), or is based on a maximal abundance time where abundance in the headspace reaches a maximum. ### Claim 3 (depends on 1) The computer-implemented method of claim 1, wherein the olfactive contribution of a fragrance ingredient is determined according to a formula olfactive contribution=log(odor value*concentration). ### Claim 4 (depends on 1) The computer-implemented method of claim 1, wherein the GUI displays the total olfactive contributions of the groups of fragrance ingredients in an olfactive space defined by an array of coordinates, each coordinate indicating a specific property of the fragrance ingredients, and wherein a first coordinate indicates the diffusion measure and a second coordinate indicates the olfactive contribution. ### Claim 5 (depends on 4) The computer-implemented method according to claim 4, wherein the olfactive space provides a bar chart, wherein one bar is displayed per group of fragrance ingredients, with a length that represents the total olfactive contribution. ### Claim 6 (depends on 5) The computer-implemented method according to claim 5, wherein each bar is divided into sections representing the individual fragrance ingredients within the group. ### Claim 7 (depends on 1) The computer-implemented method according to claim 1, wherein the GUI displays the fragrance composition as circles in a further two-dimensional olfactive space, with an x-axis indicating an odor threshold and a y-axis indicating the diffusion measure of each individual fragrance ingredient. ### Claim 8 (depends on 1) The computer-implemented method according to claim 1, wherein the GUI displays the fragrance composition as user-positioned circles in a further two-dimensional olfactive space, and wherein the olfactive contribution of the fragrance ingredients is indicated by a size of the user-positioned circles. ### Claim 9 (depends on 1) The computer-implemented method according to claim 1, wherein the GUI displays one or more fields in which a user may select one or more fragrances compositions, fragrance ingredients, odor families, groups, or other aspect for display, or apply one or more thresholds to a concentration range or diffusion measures range for display. ### Claim 10 (depends on 1) A method of adjusting the temporal fragrance profile of the fragrance composition comprising the plurality of fragrance ingredients, the method comprising: predicting the temporal fragrance profile of the fragrance composition according to the computer-implemented method of claim 1; the GUI accepting user input from a user input means to change the olfactive contribution of the group or the fragrance ingredient, or to delete or add the fragrance ingredient, and the GUI changing a display accordingly” in order to provide appropriate antecedence basis. ### Claim 11 (depends on 10) The method of claim 10, wherein the total olfactive contribution of at least one adjustable group is increased or decreased, respectively, by adding at least one additional fragrance ingredient having the diffusion measure corresponding to the at least one adjustable group or by removing the at least one fragrance ingredient present in the at least one adjustable group, respectively. ### Claim 12 (depends on 10) The method according to claim 10, wherein the user input is in a form of touch screen manipulation of the display or keyboard/mouse manipulation of the display, to change a representation of the group on the display. ### Claim 13 (depends on 1) The computer-implemented method according to claim 1, wherein the fragrance composition is retrieved from a database, and any changes to the fragrance composition are stored back into the database. ### Claim 14 (depends on 1) The computer-implemented method according to claim 1, wherein the diffusion measure is equilibrium headspace concentration or vapor pressure, and equilibrium headspace concentrations or vapor pressures of the fragrance ingredients of each group are within one order of magnitude” in order to correct for minor informalities. ### Claim 15 (depends on 1) The computer-implemented method according to claim 1, further comprising the displaying odor families of the fragrance ingredients, in particular by color coding. ### Claim 16 (depends on 1) The computer-implemented method according to claim 1, further comprising: the processor converting, for each fragrance ingredient, the olfactive contribution to a corresponding quantity; and dispensing and mixing fragrance ingredients to provide a fragrance composition. ### Claim 17 (depends on 16) The fragrance composition comprising the plurality of fragrance ingredients, wherein the fragrance composition is obtained by the computer-implemented method of claim 16. ### Claim 18 (depends on 1) A computer program which, when loaded onto at least one computer apparatus, configures the at least one computer apparatus to carry out the computer-implemented method of claim 1. ### Claim 19 (depends on 1) The computer-implemented method according to claim 1, further comprising adjusting fragrance ingredients of the fragrance composition via the GUI while visually observing an effect on the virtual olfactive fingerprint of the fragrance composition. ### Claim 20 (depends on 1) The computer-implemented method according to claim 1, further comprising identifying or balancing unbalanced groups of the groups of fragrance ingredients based on the virtual olfactive fingerprint. ### Claim 21 (depends on 1) The computer-implemented method according to claim 1, further comprising creating a virtual fragrance composition based on the virtual olfactive fingerprint via the GUI. ### Claim 22 (depends on 21) The computer-implemented method according to claim 21, further comprising harmonizing, boosting, enhancing, or balancing a fragrance profile of the fragrance composition via the virtual fragrance composition and the GUI. ### Claim 23 A computer apparatus arranged to carry out a method of predicting a temporal fragrance profile of a fragrance composition comprising a plurality of fragrance ingredients, the computer apparatus comprising a processor to: retrieve a diffusion measure of how fast each fragrance ingredient diffuses into a headspace; form groups of fragrance ingredients having a similar diffusion measure; determine an olfactive contribution of each fragrance ingredient; calculate a total olfactive contribution of a group of fragrance ingredients as a sum of the olfactive contributions of all fragrance ingredients forming the group; and comprising a graphical user interface to visualizing the temporal fragrance profile by displaying the total olfactive contribution of each group of fragrance ingredients in an order that is based on diffusion measures of the groups of fragrance ingredients, wherein the visualized temporal fragrance profile is defined between a first end and a second end opposite with respect to the first end, a first group of the groups diffuses into a headspace before one or more second groups of the groups diffuse into the headspace, the first group is disposed at or adjacent to the first end of the visualized temporal fragrance profile, and the one or more second groups are disposed between the first group and the second end of the visualized temporal fragrance profile.