3.8 Article

A strategy to define applicability domains for read-across

Related references

Note: Only part of the references are listed.
Article Toxicology

The use of Bayesian methodology in the development and validation of a tiered assessment approach towards prediction of rat acute oral toxicity

James W. Firman et al.

Summary: Traditional methods of chemical safety assessment are no longer considered sufficient, with new approaches like NAM emerging but still needing improvement for regulatory acceptance. Combining data from various sources can enhance confidence in hazard assessments, with potential for extension to other toxicological endpoints demonstrated.

ARCHIVES OF TOXICOLOGY (2022)

Article Medicine, Legal

Sub-structure-based category formation for the prioritisation of genotoxicity hazard assessment for pesticide residues: Sulphonyl ureas

S. J. Enoch et al.

Summary: Dietary risk assessment requires evaluating the genotoxic potential of pesticide residues. The European Food Safety Authority recommends a tiered approach for assessing similar chemical classes. In this study, a set of structural alerts were derived for a dataset of sulphonyl urea agrochemicals, which defined the chemical space associated with this class. Combining structural space alerts, covalent chemistry profiling and physico-chemistry properties allowed the development of chemical categories suitable for prioritizing chemicals.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2022)

Article Medicine, Legal

Clearly weighing the evidence in read-across can improve assessments of data-poor chemicals

Glenn W. Suter et al.

Summary: This paper presents a systematic weight-of-evidence method for read-across analyses of data-poor chemicals. The method considers various properties and attributes of the target chemical and analogues, and weighs the evidence for similarity to determine the best candidate analogue. The approach allows for estimation of endpoint effects based on the analogue with the highest weight of evidence.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2022)

Article Toxicology

Integrate mechanistic evidence from new approach methodologies (NAMs) into a read-across assessment to characterise trends in shared mode of action

Sylvia E. Escher et al.

Summary: Read-across approaches may not provide sufficient evidence on a common mode of action across category members. A case study on branched aliphatic carboxylic acids shows the potential to induce hepatic steatosis. By analyzing gene expression patterns and adverse outcome pathways, researchers were able to confirm biological similarity and design an in vitro testing battery to systematically investigate a common mode of action among the compounds.

TOXICOLOGY IN VITRO (2022)

Article Chemistry, Medicinal

Exploring the Potential of ToxCast Data in Supporting Read-Across for Evaluation of Food Chemical Safety

James W. Firman et al.

Summary: The study aimed to determine the utility of high-throughput screening (HTS) data in toxicological read-across for food-relevant chemicals. Results showed that HTS data could help elucidate bioactivities, close data gaps, and define the boundaries of chemical space. The evaluation of paraben-gallates and pyranone-type compounds for estrogenicity demonstrated the potential for identifying out-of-domain compounds.

CHEMICAL RESEARCH IN TOXICOLOGY (2021)

Article Medicine, Legal

Grouping of chemicals based on the potential mechanisms of hepatotoxicity of naphthalene and structurally similar chemicals using in vitro testing for read-across and its validation

Shota Nakagawa et al.

Summary: Integrated approaches to testing and assessment can improve the reliability of read-across for chemical risk assessment of systemic toxicity by comparing biological similarities of structurally similar chemicals using in vitro testing, aiding in grouping chemicals and extracting key considerations for read-across.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2021)

Article Medicine, Legal

Incorporating lines of evidence from New Approach Methodologies (NAMs) to reduce uncertainties in a category based read-across: A case study for repeated dose toxicity

Cynthia B. Pestana et al.

Summary: This study investigated the confidence associated with read-across of a group of triazole compounds by reducing uncertainties and integrating data streams from New Approach Methodologies. While data rich and mechanistically robust compounds can support read-across, further experimentation may be necessary to build confidence in the read-across hypothesis.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2021)

Article Environmental Sciences

Selection of Representative Constituents for Unknown, Variable, Complex, or Biological Origin Substance Assessment Based on Hierarchical Clustering

Darina G. Yordanova et al.

Summary: The study demonstrates different scenarios for selecting representatives through hierarchical clustering of UVCB constituents, proposing two methods of selection: choosing the most conservative constituents and obtaining a small set of chemical representatives for evaluating their environmental and toxicological properties.

ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2021)

Article Medicine, Legal

New framework for a non-animal approach adequately assures the safety of cosmetic ingredients - A case study on caffeine

Dagmar Bury et al.

Summary: This case study utilized new approach methodologies and a 10-step read-across framework to assess the consumer safety of caffeine, selecting theophylline as the most potent and suitable analogue. By conducting a worst-case aggregate exposure assessment of caffeine from various sources, it was determined that the NGRA approach for caffeine is sufficiently conservative to protect human health.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2021)

Article Pharmacology & Pharmacy

Comparative analysis of the physicochemical, toxicokinetic, and toxicological properties of ether-PFAS

Penelope A. Rice et al.

Summary: Perfluoropolyethers, or ether-PFAS, are used as processing aids in the manufacture of various perfluorinated polymeric materials for consumer applications. Research on the physicochemical and toxicological properties of these compounds is still lacking in some areas. This article compares specific ether-PFAS compounds to help fill in data gaps and propose potential assessment strategies for this class of chemicals.

TOXICOLOGY AND APPLIED PHARMACOLOGY (2021)

Article Toxicology

An integrated chemical environment with tools for chemical safety testing

Shannon Bell et al.

TOXICOLOGY IN VITRO (2020)

Review Medicine, Research & Experimental

A Review of In Silico Tools as Alternatives to Animal Testing: Principles, Resources and Applications

Judith C. Madden et al.

ATLA-ALTERNATIVES TO LABORATORY ANIMALS (2020)

Article Medicine, Legal

Molecular fingerprint-derived similarity measures for toxicological read-across: Recommendations for optimal use

C. L. Mellor et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2019)

Article Medicine, Legal

Multi-dimensional in vitro bioactivity profiling for grouping of glycol ethers

Fabian A. Grimm et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2019)

Article Environmental Sciences

Using a hybrid read-across method to evaluate chemical toxicity based on chemical structure and biological data

Yajie Guo et al.

ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY (2019)

Review Environmental Sciences

Integrating in silico models and read-across methods for predicting toxicity of chemicals: A step-wise strategy

Emilio Benfenati et al.

ENVIRONMENT INTERNATIONAL (2019)

Article Medicine, Legal

Finding synergies for 3Rs-Toxicokinetics and read-across: Report from an EPAA partners' Forum

Charles Laroche et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2018)

Article Medicine, Legal

Lessons learned from read-across case studies for repeated-dose toxicity

Terry W. Schultz et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2017)

Article Medicine, Legal

Metabolomics as read-across tool: A case study with phenoxy herbicides

B. van Ravenzwaay et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2016)

Article Environmental Sciences

UVCB substances: Methodology for structural description and application to fate and hazard assessment

Sabcho D. Dimitrov et al.

ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY (2015)

Article Chemistry, Medicinal

Data Quality in the Human and Environmental Health Sciences: Using Statistical Confidence Scoring to Improve QSAR/QSPR Modeling

Fabian P. Steinmetz et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)

Article Medicine, Legal

A strategy for structuring and reporting a read-across prediction of toxicity

T. W. Schultz et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2015)

Article Medicine, Legal

A framework to facilitate consistent characterization of read across uncertainty

Karen Blackburn et al.

REGULATORY TOXICOLOGY AND PHARMACOLOGY (2014)

Article Chemistry, Medicinal

Formation of Structural Categories to Allow for Read-Across for Teratogenicity

Steven J. Enoch et al.

QSAR & COMBINATORIAL SCIENCE (2009)

Article Chemistry, Medicinal

A stepwise approach for defining the applicability domain of SAR and QSAR models

S Dimitrov et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)