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Toward regulatory acceptance and improving the prediction confidence of in silico approaches: a case study of genotoxicity
- Source :
- Expert Opinion on Drug Metabolism & Toxicology. 17:987-1005
- Publication Year :
- 2021
- Publisher :
- Informa UK Limited, 2021.
-
Abstract
- Introduction: Genotoxicity is an imperative component of the human health safety assessment of chemicals. Its secure forecast is of the utmost importance for all health prevention strategies and regulations.Areas covered: We surveyed several types of alternative, animal-free approaches ((quantitative) structure-activity relationship (Q)SAR, read-across, Adverse Outcome Pathway, Integrated Approaches to Testing and Assessment) for genotoxicity prediction within the needs of regulatory frameworks, putting special emphasis on data quality and uncertainties issues.Expert opinion: (Q)SAR models and read-across approaches for in vitro bacterial mutagenicity have sufficient reliability for use in prioritization processes, and as support in regulatory decisions in combination with other types of evidence. (Q)SARs and read-across methodologies for other genotoxicity endpoints need further improvements and should be applied with caution. It appears that there is still large room for improvement of genotoxicity prediction methods. Availability of well-curated high-quality databases, covering a broader chemical space, is one of the most important needs. Integration of in silico predictions with expert knowledge, weight-of-evidence-based assessment, and mechanistic understanding of genotoxicity pathways are other key points to be addressed for the generation of more accurate and trustable results.
- Subjects :
- Prioritization
Databases, Factual
Computer science
In silico
Quantitative Structure-Activity Relationship
Animal Testing Alternatives
Toxicology
medicine.disease_cause
030226 pharmacology & pharmacy
03 medical and health sciences
0302 clinical medicine
Adverse Outcome Pathway
medicine
Animals
Humans
Computer Simulation
Reliability (statistics)
Pharmacology
Mutagenicity Tests
Reproducibility of Results
General Medicine
Chemical space
Risk analysis (engineering)
030220 oncology & carcinogenesis
Data quality
Health prevention
Genotoxicity
Mutagens
Subjects
Details
- ISSN :
- 17447607 and 17425255
- Volume :
- 17
- Database :
- OpenAIRE
- Journal :
- Expert Opinion on Drug Metabolism & Toxicology
- Accession number :
- edsair.doi.dedup.....7878bf3e9a1cdb8700f713d60b5b75bb