COMPUTER-IMPLEMENTED METHOD FOR QUANTIFYING CHEMICAL HAZARD ASSESSMENT

• US 20200133979A1
• Filed: 10/24/2019
• Published: 04/30/2020
• Est. Priority Date: 10/24/2018
• Status: Active Application

• Current Assignee: SciVera LLC (Enhesa NV)
• Original Assignee: SciVera LLC (Enhesa NV)
• Inventors: Rinkevich, Joseph, Groff, Bradley, Beattie, Patricia, McLoughlin, Colleen, Orchard-Hays, James, Murray, Elizabeth
• Application Number:
  US16/663,288
• Publication Number:
  US 20200133979A1
• Time in Patent Office: Days
• CPC Class Codes: G06F 16/9035 Filtering based on additional data, e.g. user or group profiles
• CPC Class Codes: G06F 16/9038 Presentation of query results
• CPC Class Codes: G16C 20/30 Prediction of properties of chemical compounds, compositions or mixtures
• CPC Class Codes: G16C 20/40 Searching chemical structures or physicochemical data

Abstract

A computer-implemented quantitative hazard scoring method is described. The method allows a large population of chemicals to be scored for their relative hazard potential and compared with one another. The method allows a user to provide one or more chemical identifiers and receive a quantitative hazard score based on the one or more chemical identifiers according to an algorithm.

Claims

1. A computer-implemented method of quantitative assessment of one or more chemical hazards, comprising:

providing one or more chemical identifiers;

querying a dynamic database of toxicological assessment information on a plurality of toxicity endpoints based on the one or more chemical identifiers;

assigning a numeric hazard score to the toxicological hazard condition established for each endpoint of the plurality of endpoints based on the information in the database;

calculating a quantitative score using the numeric hazard scores for the plurality of endpoints, which are used to obtain a raw score, and a total score; and

wherein the querying, assigning, and calculating steps are performed by one or more processors.

2. The computer-implemented method of claim 1, wherein a new or updated numeric hazard score for the plurality of endpoints results in a notification by the one or more processors.

3. The computer-implemented method of claim 1, wherein a new or updated quantitative score results in a notification by the one or more processors.

4. The computer-implemented method of claim 1, wherein the plurality of toxicity endpoints comprises a core set of endpoints and a supplemental set of endpoints.

5. The computer-implemented method of claim 1, wherein the numeric hazard scores of the core set of endpoints are weighted higher than the hazard scores of the supplemental set of endpoints.

6. The computer-implemented method of claim 1, wherein the hazard scores are weighted by a limited evidence factor.

7. The computer-implemented method of claim 1, wherein the hazard scores correspond to hazard conditions comprising low, moderate, high, very high, unassessed, assessed, assessed—

insufficient data, and/or combinations thereof.

8. The computer-implemented method of claim 7, wherein when the hazard is low or moderate, the hazard score is weighted downward by a limited evidence factor.

9. The computer-implemented method of claim 7, wherein when the hazard is high or very high, the hazard score is weighted upward by a limited evidence factor.

10. The computer-implemented method of claim 7, wherein a low hazard condition is scored higher than a moderate hazard condition, and which moderate hazard condition is scored higher than a high hazard condition.

11. The computer-implemented method of claim 1, wherein a change in hazard condition for one or more endpoints for a chemical results in a corresponding revision of endpoint score.

12. The computer-implemented method of claim 1, wherein a change in the score for one or more endpoints for a chemical results in a corresponding recalculation of the raw score.

13. The computer-implemented method of claim 1, wherein a change in raw score for a chemical results in a corresponding recalculation of the quantitative score.

14. The computer-implemented method of claim 1, wherein a change in index score for a chemical results in a corresponding notification to one or more user querying the quantitative score for that chemical.

15. The computer-implemented method of claim 1, wherein the method provides for a comparison of a first chemical'"'"'s toxicological characteristics having a first quantitative score to a second chemical'"'"'s toxicological characteristics having a second quantitative score, wherein the comparison allows for objective and/or quantified selection of a chemical having one or more characteristics.