Certara plugs NVIDIA BioNeMo agent toolkit into drug-development platform, aiming to speed discovery and regulatory work

Certara said it has teamed with NVIDIA to expand its AI platform with the NVIDIA BioNeMo Agent Toolkit, adding what the companies describe as autonomous “life sciences agents” aimed at accelerating drug discovery and development. The integration is intended to connect Certara’s biosimulation software, proprietary datasets, and scientific know-how with AI-driven agents that can produce specialized, domain-focused outputs across multiple stages of the drug lifecycle.

In the announcement, Certara framed the agents as systems that can reason over scientific and clinical inputs, then help optimize dosing assumptions, simulate clinical trials, and evaluate ADMET properties, a standard set of pharmacology and safety-related measures that include absorption, distribution, metabolism, excretion, and toxicity. The company said the agents can also support the preparation of “regulatory-ready evidence,” while maintaining a human-in-the-loop design so scientists remain in control of key decisions.

Certara’s approach centers on its open integrated AI platform, which it said is built to unify tools and data rather than treat AI as a bolt-on. By wiring the BioNeMo Agent Toolkit into that platform, Certara is effectively extending its existing computational and biosimulation work with agentic workflows designed for specific scientific tasks.

The partnership also reflects a broader push in life sciences toward agent-driven automation. NVIDIA has previously described BioNeMo Agent Toolkit as a way to give AI agents domain-specific tools and skills for scientific discovery, positioning the software as part of an emerging “agentic life sciences” stack rather than a single model or one-off analysis feature.

The market response to the news was modest but positive. Following the announcement, Certara shares were reported to have gained about 2.38% in the next-day window tracked by one market-data provider, with data described as delayed and not necessarily attributable solely to the partnership.

For NVIDIA, the deal is another example of how it is trying to translate its AI software ecosystem into vertical, application-specific platforms. For Certara, it is a announcement that the company wants its simulation and regulatory workflow capabilities to pair more tightly with AI agents that can help generate work product faster, while still routing critical judgments through researchers.

Certara did not provide detailed information in the public reporting about deployment scope, such as whether customers will access the new agent capabilities immediately, how pricing will be handled, or what specific tools within its portfolio will be connected first. The company also did not disclose performance benchmarks, timelines for commercialization, or whether any particular regulatory pathway has been validated through the agent-assisted workflow.

Investors and customers will likely focus next on adoption, including which parts of the drug-development workflow see the fastest use, whether the agents reduce turnaround time in internal studies, and whether Certara can demonstrate that agent-generated regulatory evidence meets the same standards scientists would otherwise assemble manually. Any follow-on updates that include case studies, customer names (if permitted), or quantitative results would help clarify how much acceleration the new capability delivers in practice.