Meaning
In silico prediction platforms evaluate the toxicological risks of chemical substances using quantitative structure activity relationships. When analyzing plastics, QSAR Derek Nexus is used to screen unknown polymer migrants and extractables for potential mutagenicity or carcinogenicity. This software uses a knowledge based expert system to identify chemical alerts within the molecular structure of additives and degradation products.
It provides a rapid method for assessing the safety of plastics used in medical devices and food contact applications without resorting to extensive animal testing.
Toxicity Prediction
Predictive software compares the molecular structure of the migrant against a database of known chemical hazards. By identifying reactive functional groups, it predicts whether the compound is likely to cause adverse biological effects. This screening is especially useful for newly formed degradation products that do not yet have published toxicity data.
Polymer Extractable
Plastic components often release a complex mixture of slip agents and antioxidants when exposed to solvents. Evaluating each of these substances individually through lab testing is expensive and time consuming. The predictive model allows manufacturers to prioritize their testing on the compounds that show the highest risk alerts.
Regulatory Compliance
Submitting predictive toxicological reports helps satisfy the safety requirements of health authorities. This computational approach is recognized by regulatory bodies as a valid first step in the risk assessment of contact materials.
