Toxicity Assessments
The following models cover a wide variety of assessment types and contain a unique combination of both in vivo and in vitro assays used for determining toxicity potential by using an in silico approach
Licensing Options
CASE Ultra Bacterial Mutagenicity models are based on the experimental data from the Ames test. The models cover both expert-rule and statistical methodologies for complete ICH M7 compliance and are validated using OECD principles.
Additional Bacterial Mutagenicity models are available for supporting evidence which are related to strain and site specific mutagens, both with and without S9
The Genotoxicity endpoint includes Mutagenicity as well as other genotoxicity-relevant in vitro and in vivo phenotypes, such as micronucleus, chromosomal aberrations, sister chromatid exchange and more. These models denoted as RCA are based on FDA data as part of Research Cooperation Agreement (RCA). All below models are statistically based.
A collection of statistical models to predict cancer related endpoints in human and rodents.
Models denoted as RCA are based on FDA data as part of Research Cooperation Agreement (RCA).
Hepatobiliary adverse effects and general liver toxicity in human.
Models denoted as RCA are based on FDA data as part of Research Cooperation Agreement.
Statistical models used for predicting Kidney and urinary tract adverse effects in human.
These models are based on FDA data as part of Research Cooperation Agreement (RCA).
This battery of QSAR models predicts cardiovascular adverse effects in humans. The models are based on data from clinical studies, drug-labeling, published literature and post-market data from the FDA Adverse Event Reporting System (FAERS). These models are based on FDA data as part of Research Cooperation Agreement (RCA).
Irritation and sensitization potential upon contact with skin or eye. These models can help in managing environmental impact and in cosmetics research.
Reproductive sytem disorders and adverse effects. These models are based on FDA data as part of Research Cooperation Agreement (RCA).
Additional Reproductive and Developmental models are available for supporting evidence which are related to teratogenicity in rabbits, rats, mice, and mammals; developmental toxicity affecting fetal survival; anomalies in fetal development, and developmental toxicity affecting fetal survival.
Acute toxicity endpoints. Models denoted as RCA are based on FDA data as part of Research Cooperation Agreement (RCA).
Endpoints related to ecotoxicity and environmental hazard.
ADME (Absorption, Distribution, Metabolism, and Excretion) models predict outcomes for several important pharmacokinetic processes, which control circulation of chemical substances in the human body.
These models should be useful in the risk assessment of endocrine disrupting potential of chemicals where animal testing is not possible.
Adverse Effects models predict outcomes for several important key events/mechanisms which contribute to apical toxicity in the human body.
This module operates as a stand alone computational local similarity tool within QSAR Flex software which objectively calculates the most relevant surrogates to a nitrosamine query compound lacking suitable data.