ToxStrategies is a multidisciplinary scientific consulting firm that strives to develop innovative solutions to address the scientific, technical, and regulatory challenges confronting our clients. We have a reputation for applying sound science in all that we do, for leading-edge thinking, and for tailoring our approach to meet the specific needs of our clients, whether a rapid response or a comprehensive analysis is needed.
Quantitative Structure-Activity Relationship (QSAR) Models may be used in the absence of traditional toxicity data to evaluate potential human or environmental hazards associated with data-poor compounds and is a key tool in 21st century approaches to hazard identification and safety assessment. ToxStrategies’ scientists can assist with interpretation and expert review of numerous open-source and commercially-available QSAR programs to meet client needs.
QSAR Capabilities
- Projects supported by QSAR include:
- ICH M7-compliant mutagenicity assessment
- Lead optimization in drug development and drug impurity qualifications
- Cramer classification assessments
- Read-across assessments (including identification of surrogates)
- Predictive assessment of numerous endpoints related to human health and the environment, including:
- Bacterial and mammalian mutagenicity, clastogenicity, DNA reactivity, genotoxic and non-genotoxic carcinogenicity
- Repeat-dose and target organ toxicities
- Skin sensitization
- Estrogen/androgen/thyroid receptor activity
- Acute and chronic aquatic toxicity
- Chemical persistence/bioaccumulation potential
- Physicochemical properties of data-poor compounds
- Integration of results using expert judgment within context to support R&D, product
- Access to the most up-to-date versions of rules-based and statistical-based QSAR models, including:
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- OECD Toolbox
- VEGA
- ToxTree
- US EPA A.I.M. (Analog Identification Methodology)
- US EPA T.E.S.T. (Toxicity Estimation Software Tool)
- US EPA EpiSuite/EcoSAR
- UC Riverside ChemMine (chemoinformatics)
- Lhasa Ltd. Derek Nexus
- Leadscope Model Applier