Systems and methods for validating and predicting polymer functions using polymer properties
In some embodiments, a computer-implemented method for selecting a polymer for an intended use. The method may include: training a selection model based on a graphical dataset, the graphical dataset comprising a node-edge graph identifying relationships between uses and properties of a polymer; receiving, via a user interface, a request comprising the intended use; based on the selection model, determining a polymer for the intended use; and outputting the determined polymer via the user interface.
1. A computer implemented method for selecting a polymer for an intended use, the method comprising:
training a selection model based on a graphical dataset, the graphical dataset comprising a node-edge graph identifying relationships between functional uses and properties of a polymer;
receiving, via a user interface, a request comprising the intended use of the polymer;
based on the selection model, determining a polymer for the intended use; and
outputting the determined polymer via the user interface.
2. The method of claim 1 , further comprising:
generating a decision tree based on the graphical data set; and
outputting the decision tree via the user interface.
3. The method of claim 2 , further comprising:
based on the decision tree, generate a list of polymers indicated for the intended use; and
output the list of polymers via the user interface.
4. The method of claim 1 , wherein the graphical data set comprises a set of polymers and a set of property measurements associated with each polymer.
5. The method of claim 4 , wherein each property of the set of properties is associated with a functional index.
6. The method of claim 1 , wherein the intended use is associated with a classification.
7. The method of claim 6 , further comprising:
generating a decision tree based on the classification, the decision tree indicating a set of polymers having properties associated with the intended use.
8. The method of claim 7 , further comprising outputting the decision tree via the user interface.
9. A computer implemented method for determining whether a polymer is appropriate for an intended use, the method comprising:
training a selection model based on a graphical dataset, the graphical dataset comprising a node-edge graph identifying relationships between functional uses and properties of a polymer;
receiving, via a user interface, a request comprising the intended use of the polymer and the polymer;
based on the selection model, determining a likelihood of the polymer being used for the intended use; and
outputting the determined likelihood via the user interface.
10. The method of claim 9 , wherein the intended use is associated with a classification.
11. The method of claim 10 , further comprising:
generating a decision tree based on the classification, the decision tree indicating a set of polymers having properties associated with the intended use.
12. The method of claim 11 , further comprising outputting the decision tree via the user interface.
13. The method of claim 10 , further comprising:
determining, based on the decision tree, an ordered list of polymers based on the likelihood of each polymer being used for the intended use; and
outputting a list of polymers having a greater likelihood than the requested polymer.
14. A system for selecting a polymer for an intended use, the system comprising:
at least one processor; and
a memory storing instructions, that when executed by the at least one processor, cause the processor to:
train a selection model based on a graphical dataset, the graphical dataset comprising a node-edge graph identifying relationships between functional uses of a polymer and properties of a polymer;
receive, via a user interface, a request comprising the intended use;
based on the selection model, determine a polymer for the intended use; and
output the determined polymer via the user interface.
15. The system of claim 14 , wherein the instructions further cause the processor to:
generate a query based on the determined polymer, wherein the query is configured to retrieve functional use data from an ontology database; and
validate the determined polymer based on the retrieved functional use data.
16. The system of claim 14 , wherein the intended use is associated with a classification.
17. The system of claim 14 , wherein the instructions further cause the processor to:
generate a decision tree based on the classification, the decision tree indicating a set of polymers having properties associated with the intended use.
18. The system of claim 14 , wherein the instructions further cause the processor to;
determining, based on the decision tree, an ordered list of polymers based on the likelihood of each polymer being used for the intended use; and
outputting a list of polymers.
19. The system of claim 14 , wherein each node of the node-edge graph represents an entity.
20. The system of claim 19 , wherein an entity comprises at least one of: a chemical, a polymer, a property, a tag, or a definition.