Leadscope Model Applier™ is the industry standard for in silico toxicology predictions, trusted by pharmaceutical developers, chemical safety teams, and regulators worldwide. With the v2026 release, we are delivering broader coverage, deeper insights, and enhanced regulatory alignment.
🌟 What’s New in v2026
The Leadscope Model Applier™ v2026 release provides toxicologists with advanced predictive models and extensive toxicological data to support rigorous chemical safety assessments. This update introduces refined tools and expanded datasets to enhance analytical precision and facilitate informed decision-making in toxicological research.
Key Features
| Feature | Update |
| Bacterial Mutagenicity Model | Added data for newly approved drugs, and expanded applicability domain by incorporating public domain analogs of proprietary structures |
| Alert Annotation Enhancements | Additional alert annotations for alerts, including nitro‑ and epoxide-related structure activity relationships |
| Systemic Toxicity and DART database | Enriched with study-specific thresholds such as NOAELs, LOAELs, and benchmark dose values where available, along with effect summaries and supporting references to streamline exposure limit derivation. |
| Read‑Across Support | Toxicity similarity calculations and data availability metric for improved analog justification and prioritization in read-across |
| Extractables & Leachables assessment support | Consolidation and integration of study data within the read-across environment to support derivation of Permitted Daily Exposure (PDE) and Margin of Safety (MoS) calculations for data-poor chemicals. |
| Safety Assessment Tab in the compound details sheet | Aggregated safety assessment data, including existing health‑based guidance values (HBGV) |
| Non-Genotoxic Carcinogenicity Profiler | Supports the assessment of non-genotoxic carcinogenicity, based on a curated library of structural alerts collected from peer-reviewed scientific publications. |
| N-nitrosamine appendices | Acceptable intake (AI) limits for Nitrosamine Drug Substance-Related Impurities (NDSRIs) have been updated to reflect the most recent guidance issued by health authorities. |
Bacterial Mutation Model Update
The bacterial mutagenicity model was updated under regulatory guidance*. The model training set was updated to include newly approved drugs and public-domain analogs of proprietary structures, offering improved prediction accuracy through an expanded applicability domain.
Safety Assessment Database Expansion
Our database got enriched with systemic toxicity and DART data for thousands of compounds, complete with NOAELs, LOAELs, benchmark doses, effect summaries, and study references. This expansion provides toxicologists with robust data to support thorough safety assessments.
Read-Across Support
By consolidating, standardizing, and integrating study data within the read-across environment, Leadscope better supports systemic toxicity evaluations, including in the context of extractables and leachables assessments where derivation of a PDE value or MoS calculation is required for data-poor substances. Hence, a significant reduction in manual effort and overall time.
Improved Analog Justification and Prioritization
Leadscope introduces toxicity similarity calculations to support analog suitability evaluations through an assessment of toxicophores. Total study counts are incorporated to prioritize data-rich analogs for review. These features optimize analog selection for more insightful and efficient analysis.
Compound Safety Assessment details
This centralized location on the compound details sheet provides easy access to health-based guidance values (HBGV), regulatory limits under ICH guidance, and study-specific thresholds. It consolidates essential safety data in one location, simplifying data retrieval and review, and identification of critical studies used in the derivation of HBGV.
🔑 Why It Matters
- Regulatory Confidence: Aligned with ICH M7, ICH Q3E, and OECD principles.
- Broader Coverage: Expanded datasets ensure more chemicals fall within the model’s applicability domain.
- Faster Decisions: Consolidated resources streamline risk assessments and improve time efficiency.
- Trusted Worldwide: Used by regulators and industry leaders for impurity assessments, safety evaluations, R&D, and compliance reporting.
📊 Key Benefits
| Feature | Benefit |
| Expanded Bacterial Mutation Model | Greater coverage, stronger confidence in mutagenicity predictions |
| Systemic & DART Data | Supports safety exposure limit derivation and comprehensive risk-based evaluations |
| Nitrosamine AI Values | Latest FDA, EMA, and Health Canada guidance integrated |
| Regulatory Alignment | Transparent and defendable predictions for submissions |
| Read-across | Accelerated workflows, analog justification, reduced manual work, and faster decisions |
🎯 Who Benefits
- Scientists supporting Small-molecule Mutagenicity Risk Assessment: Confident risk assessments in regulatory contexts.
- Chemical Safety Teams: Comprehensive systemic and reproductive toxicity data for informed decisions. Integrated read-across solutions supporting the assessment of data-poor chemicals.
- Regulators & Reviewers: Transparent and defendable predictions
Summary
Leadscope Model Applier™ v2026 delivers enhanced predictive models, expanded toxicological data, and advanced read-across and prioritization tools. This release provides broader coverage and a consolidated resource for computational toxicology research.
Optimizing Predictive Toxicology
Discover how Leadscope Model Applier™ v2026 supports your toxicological safety assessments and research.
Schedule a demo with us to find out more about the new features.
