Systems and methods for chemical toxicity prediction
AssigneesNational Taiwan University, National Environmental Research Academy
InventorYUFENG JANE TSENG
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Abstract
The present disclosure relates to systems and methods for chemical toxicity prediction. The methods of the present disclosure comprise: receiving test data from an analysis instrument; selecting a candidate chemical according to the test data; determining a hazard translated level and a hazard evaluation level of the candidate chemical according to a molecular fingerprint of the candidate chemical; and predicting the toxicity of the candidate chemical by using a quantitative structure-activity relationship (QSAR) model based on the hazard translated level and the hazard evaluation level.
Claims6
A method for chemical toxicity prediction, comprising:
- receiving test data from an analysis instrument;
- selecting a candidate chemical according to the test data;
- according to a molecular fingerprint of the candidate chemical, predicting the toxicity of the candidate chemical by using a quantitative structure-activity relationship (QSAR) model.
A system for chemical toxicity prediction, comprising:
- a database;
- a host comprising a memory and a processor;
- and
- an analysis instrument,
- wherein, the memory stores instructs so that the host executes the following operations:
- receiving test data of a sample from the analysis instrument;
- selecting a candidate chemical from the database according to the test data;
- according to a molecular fingerprint of the candidate chemical, predicting the toxicity of the candidate chemical by using a quantitative structure-activity relationship (QSAR) model.
Dependencies are inferred from the claim text.