Computational Models Behind The In Silico Analysis
- Quantitative Structure–Activity Relationship ((Q)SAR) models are used to analyze molecular structures and predict toxicological outcomes based on patterns in large datasets of known compounds
- Structural features linked to acute toxicity using curated expert rules are identified, enabling early detection of potential safety concerns during compound design
- We predict toxicological properties of novel or under-studied chemicals by comparing them to structurally similar, well-characterized analogues, supporting scientifically sound extrapolations
- The In-silico analysis combines statistical models, expert systems, and curated databases to deliver robust, transparent, and reproducible toxicity predictions
- The models align with international guidelines (e.g., ICH M7), providing scientifically defensible outputs suitable for regulatory submissions
