At Innovatune, we offer expert support services designed to optimize the application of in silico toxicology (including QSAR modeling and read-across) in chemical safety assessments. Our team provides specialized guidance across various tools and methodologies, empowering clients with effective, data-driven solutions.
- In Silico Toxicology: Comprehensive advice on predicting various toxicological endpoints and properties.
- Expert Review: Guidance on interpreting and summarizing in silico predictions to facilitate safety assessments and meet regulatory standards as coming from different advanced computational tools such as the OECD QSAR Toolbox, Leadscope Model Applier, Derek Nexus, Sarah Nexus, OPERA, VEGA and MultiCASE.
- Read-Across: Support in creating robust read-across justifications by examining and integrating multiple similarity domains, including structural, metabolic, toxicological, and physicochemical properties. Using dedicated software like the OECD QSAR Toolbox, we ensure that these analyses enhance toxicological risk assessments for substances with limited experimental data, enabling scientifically sound and regulatory-compliant conclusions.
- Substance Grouping Strategy: Specialized consultation on grouping substances using advanced chemoinformatics approaches to streamline data analysis and improve the reliability of toxicological predictions.
- Identification of Suitable Surrogates for Read-Across: Assistance in identifying appropriate surrogate compounds for read-across analyses, ensuring that risk assessments are scientifically sound and meet regulatory expectations.
Training services
At Innovatune, we provide tailored training programs in computational toxicology designed to equip clients with the knowledge and skills needed to effectively apply in silico tools in their safety assessment processes. Our comprehensive training covers both fundamental and advanced applications of QSAR modeling, read-across strategies, and the use of industry-standard software. Participants will gain expertise in interpreting and integrating computational predictions into toxicological assessments and regulatory submissions, ensuring confident and proficient use of in silico methodologies.
Examples of training modules include:
- Genotoxicity Assessment for Drug Impurities: Integrating complementary QSAR methodologies in accordance with the ICH M7 guideline, with a focus on theoretical concepts and practical applications.
- Genotoxicity Assessment for Pesticide Residues: Utilizing OECD QSAR Toolbox profilers and third-party models, covering theoretical foundations and hands-on applications.
- Comprehensive Genotoxicity Assessment Using In Silico Tools: Combining predictions from freeware tools (e.g., OECD QSAR Toolbox and Vega) with third-party commercial models, including general concepts, applications, and expert review.
- In Silico Toxicology for Hazard Identification and Safety Assessment: Leveraging computational toxicology to support comprehensive hazard identification and safety evaluations.
- QSAR and Read-Across for PDE Derivation for E&L: Applying QSAR and read-across strategies to derive permitted daily exposure values for extractables and leachables.
These training sessions empower participants to confidently integrate in silico toxicology into their workflows, ensuring regulatory compliance and robust safety assessments.