‘Drug hunter’ deploys AI to accelerate path to new therapies

When Tim Heffernan, Ph.D., arrived at MD Anderson in 2011, he saw an opportunity to fundamentally change how cancer drugs are developed. With experience spanning academia and the biopharmaceutical sector, he recognized that the traditional model — years of siloed trial and error — needed transformation.

Heffernan, a self-described “drug hunter,” now leads this change as vice president and head, Oncology Research and Development.

“What once took years now takes months,” Heffernan says. “Artificial Intelligence (AI) algorithms can predict protein structure, screen millions of compounds and suggest novel drug designs, all before a single experiment runs in the lab.”

Building an integrated approach

Heffernan’s strategy uniquely integrates pharmaceutical research and development with cutting-edge discovery science and clinical expertise — a rare combination. Through MD Anderson’s Institute for Data Science in Oncology, his team deploys AI algorithms, protein structure prediction models and computational drug design tools to address high unmet medical needs.

In 2025, Heffernan forged partnerships with biotechnology leaders in AI drug discovery, integrating generative AI and deep learning into MD Anderson’s data ecosystem. These collaborations have exemplified the difference between AI-informed drug design versus traditional approaches. The first AI-designed programs have accelerated timelines with nomination of new drug candidates in 2026, followed by testing in clinical trials at MD Anderson in early 2027.

“The pace has been truly inspiring,” Heffernan says. “Programs are achieving critical milestones once thought unattainable.”

A vision beyond drug discovery

For Heffernan, AI's promise extends beyond drug discovery. He envisions these technologies transforming every stage of patient care, from detection and diagnosis to treatment selection and monitoring.

The work reveals Heffernan’s philosophy: interrogate biology at extraordinary resolution to reveal molecular patterns and therapeutic vulnerabilities, then leverage AI-informed drug design to accelerate discovery and expand treatment options. As AI platforms become increasingly democratized, his team positions MD Anderson at the forefront of AI-informed cancer care.

Mission meeting moment

What drives Heffernan isn’t simply technology; it’s people.

“For every story of success, I am even more inspired to innovate for patients still waiting for solutions,” Heffernan says. “Our mission will not be complete until every patient who walks through the doors of MD Anderson has access to an effective therapeutic option.”

Having worked across multiple sectors spanning decades, Heffernan views this time as transformative in the pursuit of Making Cancer History®. “There has never been a better time to be a drug hunter,” he says.  

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