Computational Modeling & Simulation

Tox By Design is proud to announce a recent partnership with Avicenna Alliance Association, a key player in the promotion of in-silico methodologies, as of 2024. As a participating member, Tox By Design is involved in the education of stakeholders on the subject of in-silico usage and global regulation. Alongside our industry partners, we campaign for a globally harmonized regulatory framework on in-silico methods that decreases uncertainty and streamlines relevant reporting processes, such as the (Q)SAR Assessment Framework provided by the EMA.

How do AI in-silico (Q)SAR Computational Modeling & Simulation methods benefit the pharma-biotech ecosystem?

• Reduced drug development costs via early lead candidate optimization and reduced time-to-market for R&D
• Improved patient safety via improved cross contamination containment measures on multiple purpose biotech shared production lines at commercial stage
• More robust data collection derived from preclinical tox animal studies to aid in negotiating design of clinical human trials I and IIa with regulatory bodies
• Minimized animal testing due to use of in-silico NAMs (New Alternative Methodologies) abiding by three R’s regulation

How is toxicological endpoint calculation streamlined due to innovation in AI in-silico (Q)SAR CM&S methods?

Tox by Design has been using Quantitative Structure-Activity Relationships (Q)SAR protocols as early as 2016. To leverage all its potential in the toxicological domain, Tox By Design has assembled an expertise of ERT board-certified toxicologists and PharmDs alongside a top PhD Organic chemist to interpret (Q)SAR data.

We recognize the brilliant future of in-silico predictive software for toxicological modeling. Computational modeling and simulation is already delivering within the drug development ecosystem, and nowhere is it exemplified more than by pharmaceutical toxicology.