Systems and methods for preparing compositions

1. A method comprising:

(a) receiving values of chemoinformatic properties of ingredients of a sample chemical composition;

(b) receiving a value of a property of the sample chemical composition, the property being affected by an interaction of at least two of the ingredients;

(c) inputting, into a model, the values of the chemoinformatic properties of the ingredients of the sample chemical composition and the value of the property of the sample chemical composition;

(d) determining, via the model, an identity of the considered chemical composition based on at least one of (1) values of chemoinformatic properties of ingredients of the considered chemical composition or (2) a value of a property 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.

2. The method of claim 1 , wherein the determining of the identity of the considered chemical composition is based on the values of the chemoinformatic properties of the ingredients of the considered chemical composition and not based on the value of the property of the considered chemical composition.

3. The method of claim 1 , wherein, for each of the sample chemical composition and the considered chemical composition, each of the ingredients has a respective chemoinformatic property.

4. The method of claim 1 , further comprising inputting, into the model, an identity of the sample chemical composition.

5. The method of claim 1 , wherein the model is a machine learning model relating to a supervised learning approach.

6. The method of claim 1 , wherein the property of the considered chemical composition is identical to the property of the sample chemical composition.

7. The method of claim 1 , wherein the value of the property of the sample chemical composition is determined via an experimental measurement of the sample chemical composition.

8. The method of claim 1 , wherein the value of the property of the sample chemical composition is comprised of at least one of a first value of the property determined via an experimental measurement of the sample chemical composition or a second value of the property via a thermodynamic calculation.

9. The method of claim 1 , wherein the personal care product is a toothpaste.

10. The method of claim 1 , comprising:

repeating steps (a)-(c) for a plurality of sample chemical compositions prior to performing step (d).

11. A method for determining a value of a considered chemical composition having ingredients, the method comprising:

(a) receiving an identity of a sample chemical composition having a defined value of a chemical property, the sample chemical composition being comprised of ingredients that are different than ingredients of the considered chemical composition;

(b) generating a training set comprising the identity of the sample chemical composition and the defined value of the chemical property of the sample chemical composition;

(c) constructing, based on the training set, a model for determining a value of a chemical property of the considered chemical composition;

(d) determining, via the model, the value of the chemical property of the considered chemical composition based on an identity of the considered chemical composition and the training set;

(e) receiving, from the model, the value of the chemical property of the considered chemical composition; and

(f) producing a personal care product comprised of the considered chemical composition

wherein steps (c)-(e) are performed by one or more processors.

12. The method of claim 11 , wherein, for each of the sample chemical composition and the considered chemical composition, the identity comprises values of chemoinformatic properties of each of the ingredients of each chemical composition.

13. The method of claim 11 , wherein, for each of the sample chemical composition and the considered chemical composition, the identity comprises identities of the ingredients of each chemical composition.

14. The method of claim 11 , wherein the model is a machine learning model, the value of the value of the chemical property of the considered chemical composition being determined via rules of the machine learning model.

15. The method of claim 14 , wherein the machine learning model comprises a supervised learning approach.

16. The method of claim 15 , wherein the supervised learning approach comprises at least one of a Decision Tree rule, a Random Forest rule, a Support Vector Machine rule, a Naïve Bayes Classification rule, or a Logistic Regression rule.

17. The method of claim 11 , wherein the chemical property of the considered chemical composition relates to a physiochemical property of the considered chemical composition, the physiochemical property relating to a physical property or a chemical property of the considered chemical composition.

18. The method of claim 11 , wherein the defined chemical property of the sample chemical composition is identified via at least one of an experimental measurement of the sample chemical composition or a thermodynamic calculation of the sample chemical composition.

19. The method of claim 11 , wherein the defined chemical property of the sample chemical composition is comprised of at least one of a first chemical property identified via an experimental measurement of the sample chemical composition or a second chemical property identified via a thermodynamic calculation of the sample chemical composition.

20. The method of claim 11 , comprising:

repeating steps (a)-(c) for a plurality of chemical compositions prior to performing steps (d)-(e).