- Commercial Software includes industry-leading platforms such as Leadscope Model Applier, MultiCASE and Lhasa Nexus (Derek and Sarah).
- Freeware Tools includes (but not limited to) OECD QSAR Toolbox, Vega, OPERA, EpiSuite, Toxtree, and SwissADME.
Toxicological Risk Assessment: at Innovatune we integrate traditional toxicological approaches with advanced computational tools, including artificial intelligence and machine learning (e.g., QSAR), to deliver comprehensive, customized solutions that meet regulatory standards. Our expertise ensures a robust, evidence-based approach to support your safety and compliance needs.
Software supporting QSAR and read-across
Key services
Mutagenic Impurities (ICH M7): We conduct genotoxicity assessments of drug impurities in alignment with ICH M7 guidelines. For data-poor substances, we apply advanced computational toxicology using two complementary approaches—expert-based and statistical-based systems. Our evaluations utilize industry-standard software, including Lhasa Nexus (Derek and Sarah), Leadscope Model Applier and MultiCASE, to ensure reliable and regulatory-compliant results.
Limit Derivation for N-Nitrosamines: We offer precise limit derivation services based on international guidelines for N-nitrosamines, including published thresholds for small-molecule N-nitrosamines and NDSRI (nitrosamine drug substance-related impurities). Our process involves a comprehensive evaluation of available evidence, integrating toxicological data, Carcinogenic Potency Categorization Approach (CPCA) results, read-across methodologies, and SAR (structure-activity relationship) analyses.
Non-Mutagenic Impurity Qualification (ICH Q3A and ICH Q3B): We provide qualification services for non-mutagenic impurities, supported by QSAR and read-across methods for data-poor substances. Our literature reviews help identify existing evidence, such as endogenous metabolite data, to support higher qualification thresholds.
Derivation of Acceptable Intake (AI) and Permitted Daily Exposure (PDE) Limits: Innovatune assists in deriving compound-specific AI and PDE limits for drug impurities in accordance with relevant ICH guidelines.
Safety Assessment of Other Impurities:
- Extractables and Leachables (E&Ls): genotoxicity assessment of E&Ls according to relevant guidelines.
- Excipient-Related Impurities: genotoxicity assessment of impurities arising from excipients.