Predict

Predict™ is an in silico toxicology service from Instem designed to accelerate and strengthen chemical safety assessments for drug research and development. By combining advanced computational models, human expert review, and a curated database of over 600,000 studies covering more than 200,000 chemicals, Predict delivers accurate, transparent, and regulator-ready toxicology reports. The service is suited to organisations of all sizes — from startups optimising limited resources to large pharmaceutical companies managing complex regulatory timelines.

Unlike traditional manual literature review approaches, Predict reduces critical data gaps and ensures assessments are always current, scientifically robust, and aligned with major global regulatory guidelines. Because Predict is a fully managed service rather than a software platform, no training is required; Instem's domain experts handle all technical work and deliver clear, ready-to-use results.

Key Benefits

• Enhances Regulatory Compliance: Assessments are aligned with global regulatory guidelines including ICH M7 and Q3A/B/C standards, among others, ensuring acceptance by key regulatory agencies worldwide.
• Speeds Development: Early identification of potential toxicology issues allows researchers to focus on the most promising candidates and improve overall programme success rates.
• Ensures Cost-Efficiency: The service is fully scalable to each client's unique needs, providing cost-effective delivery for both large and small organisations.
• Provides Actionable Insights: Transparent, detailed reporting clearly shows how each conclusion was reached, making it straightforward to translate results into actionable next steps.
• Removes Risk: Expert review ensures that final reports are thorough, scientifically robust, and accurate, reducing uncertainty and minimising risk throughout the development process.

Core Assessment Capabilities

• Mutagenicity (Q)SAR Assessment: Supports assessments for ICH M7 pharmaceutical impurities, extractables and leachables, veterinary medicinal products, and pesticide residuals, enabling rapid and reliable identification of mutagenic risks for development and regulatory submissions.
• N-Nitrosamines Levels: Evaluates the potential toxicological risk of N-nitrosamines, helping researchers establish acceptable limits and support safety documentation in line with regulatory guidance on pharmaceutical impurities.
• Extractables and Leachables: Derives Permitted Daily Exposure (PDE) values for extractables and leachables, applying rigorous methodologies and read-across strategies based on suitable analogues for data-poor substances.
• Non-Mutagenic Impurities: Assesses and communicates safe levels for non-mutagenic impurities using available data and a read-across strategy that evaluates toxicophores for data-poor substances.
• SD File Generation: Clients receive ready-to-use SD files for seamless integration into Electronic Common Technical Document (eCTD) regulatory submissions.
• Comprehensive (Q)SAR Assessment: Delivers an in-depth full toxicological profile across carcinogenicity, mutagenicity, reproductive/developmental toxicity, endocrine activity, acute oral toxicity, skin sensitisation, irritation/corrosion, organ toxicity, bioactivation, and abuse liability endpoints.
• Bespoke (Q)SAR Assessment: Provides customisable evaluations focused on specific endpoints and tailored to address specific guidelines, ensuring clients only pay for the insights relevant to their project.

How Predict Works

1. Initial Alignment: Instem meets with clients to define project goals, regulatory requirements, and the scope of the assessment.
2. Data Identification: The team leverages the extensive 600,000-study database to identify relevant toxicology data and generate SD files for the client.
3. In Silico Analysis: World-leading computational models are applied to provide accurate and unbiased chemical safety assessments.
4. Expert Review: Domain experts review all data to ensure scientific accuracy, regulatory compliance, and clear, actionable conclusions.
5. Flexible Service Options: Clients can choose the streamlined Core service for fast results or the Full service for comprehensive, expert-reviewed reports.

Predict supports both internal decision-making and formal regulatory submissions, with transparent reports that can be incorporated directly into eCTD packages. The service is part of Instem's broader In Silico & Data Insights portfolio and benefits from Instem's deep expertise in regulatory requirements and guidelines across global markets.