US 10,515,715 B1Granted

Systems and methods for evaluating compositions

AssigneeColgate-Palmolive Company

InventorsIraklis Pappas, Bartosz Luczynski, Donghui Wu, Dong Hyun Kim

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Abstract

A system, apparatus, and/or method is disclosed for determining a value of a property of a considered chemical composition. An identity of a sample chemical composition may be received. A sample chemical composition may comprise ingredients. Each of the ingredients may be associated with a value of a chemoinformatic property of chemoinformatic properties of the sample chemical composition. A value of a property of the sample chemical composition and at least one of (1) the identity of the sample chemical composition or (2) the values of the chemoinformatic properties of the ingredients of the sample chemical composition may be input into a model. The value of the property of the considered chemical composition may be determined, via the model, based on at least one of (1) an identity of the considered chemical composition or (2) values of chemoinformatic properties of ingredients of the considered chemical composition.

Claims29

Dependent claims

A computer-implemented method of determining a value of a property of a considered chemical composition, the method comprising:

(a) receiving an identity of a sample chemical composition comprising ingredients, each of the ingredients being associated with a value of a chemoinformatic property of chemoinformatic properties of the sample chemical composition;
(b) receiving a value of a property of the sample chemical composition, the value of the property of the sample chemical composition being identified via at least one of an experimental measurement of the sample chemical composition or a thermodynamic calculation of the sample chemical composition;
(c) inputting, into a machine learning model, the value of the property of the sample chemical composition and the identity of the sample chemical composition;
(d) determining, via the machine learning model, the value of the property of the considered chemical composition based on an identity of the considered chemical composition;
and
(e) producing a personal care product comprised of the considered chemical composition;
wherein, for each of the sample chemical composition and the considered chemical composition, the property is affected by an interaction of at least two of the ingredients of the chemical composition;
wherein, for each of the sample chemical composition and the considered chemical composition, the value of the property relates to at least one of a pH, a rheology, an abrasivity, a chemical degradation, a phase change, a turbidity, an ingredient solubility, a volatile loss, or a consumer perception;
and
wherein steps (c)-(d) are performed by one or more processors.

7 more elements

A computer-implemented method of determining a value of a property of a considered chemical composition, the method comprising:

(a) receiving an identity of a sample chemical composition comprising ingredients, each of the ingredients being associated with a value of a chemoinformatic property of chemoinformatic properties of the sample chemical composition;
(b) receiving a value of a property of the sample chemical composition, the property of the sample chemical composition being affected by an interaction of at least two of the ingredients of the sample chemical composition;
(c) inputting, into a model, the value of the property of the sample chemical composition and at least one of (1) the identity of the sample chemical composition or (2) the values of the chemoinformatic properties of the ingredients of the sample chemical composition;
(d) determining, via the model, the value of the property of the considered chemical composition based on at least one of (1) an identity of the considered chemical composition or (2) values of chemoinformatic properties of ingredients of the considered chemical composition;
and
(e) producing a personal care product comprised of the considered chemical composition;
wherein the property of the considered chemical composition is affected by an interaction of at least two of the ingredients of the considered chemical composition;
and
wherein steps (c)-(d) are performed by one or more processors.

6 more elements

A computer-implemented method of determining a value of a property of a considered chemical composition, the method comprising:

(a) receiving an identity of a sample chemical composition comprising ingredients, each of the ingredients being associated with a value of a chemoinformatic property of chemoinformatic properties of the sample chemical composition;
(b) receiving a value of a sample physiochemical property of the sample chemical composition, the sample physiochemical property of the sample chemical composition being affected by an interaction of at least two of the ingredients of the sample chemical composition;
(c) inputting, into a model, the value of the sample physiochemical property of the sample chemical composition and at least one of (1) the identity of the sample chemical composition or (2) the values of the chemoinformatic properties of the ingredients of the sample chemical composition;
(d) determining, via the model, the value of a considered physiochemical property of the considered chemical composition based on at least one of (1) an identity of the considered chemical composition or (2) values of chemoinformatic properties of ingredients of the considered chemical composition;
and
(e) producing a personal care product comprised of the considered chemical composition;
wherein the considered physiochemical property of the considered chemical composition is affected by an interaction of at least two of the ingredients of the considered chemical composition;
wherein the considered physiochemical property is different than the sample physiochemical property;
and
wherein steps (c)-(d) are performed by one or more processors.

7 more elements

Dependencies are inferred from the claim text.

Facts

Application: 16/452,214Filed 25 Jun 2019
Granted: 24 Dec 2019
Term ends: Not estimatedThe source records don’t support an estimate.

Classification7 codes

G16C 20/30
Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds…
G06N 20/00
Machine learning
G16C 20/10
Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds…
G16C 20/70
Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds…