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Certara Accelerates Drug Discovery and Development with NVIDIA BioNeMo Agent Toolkit

Wednesday, July 08, 2026

Certara, Inc., a global leader in model-informed drug development, is partnering with NVIDIA to advance Certara’s open integrated AI platform, unifying its scientific software, regulatory expertise, and proprietary datasets with AI-first, agentic frameworks.

The NVIDIA BioNeMo Agent Toolkit turns any AI agent into an autonomous life sciences scientist, providing access to NVIDIA’s full life science stack. Within Certara’s platform, BioNeMo Agent Toolkit serves as one of several agentic frameworks available to clients, working alongside Certara’s biosimulation models, regulatory expertise, and scientific teams to accelerate insight generation.

“Agentic AI combined with Certara’s world-class scientists, validated models, and data keeps the scientist in the loop while delivering the speed, scale, and reproducibility our clients need to generate integrated evidence for regulators,” said Jon Resnick, Chief Executive Officer. “Our collaboration with NVIDIA intends to bring frontier AI to life sciences responsibly, at scale, and with the scientific rigor the industry demands.” 

Specialized AI agents will reason over Certara’s scientific models, data, and domain expertise to produce insights across the full development continuum — optimizing a dosing strategy with systems pharmacology models, interrogating a clinical dataset, simulating patient and trial scenarios, evaluating ADMET properties, assembling regulatory-ready evidence, and exploring early discovery hypotheses. Agentic AI augments biosimulation experts and scientific teams, delivering faster access to insights while keeping scientists at the center of decision-making.

“We believe it will become increasingly possible to computationally simulate human biology in ways that will transform the discovery and development of new medicines,” said Chris Bouton, Chief Technology Officer, Chief AI Officer. “Our collaboration with NVIDIA and addition of the BioNeMo Agent Toolkit to the integrated platform helps accelerate that vision.” 

 

Source: certara.com