Breaking Boundaries in AI and Drug Discovery: A Conversation with Dr. Shiva Amiri
At the intersection of artificial intelligence, life sciences, and women in science stands Dr. Shiva Amiri—scientist, technologist, VP, Head of AI and Data Intelligence at Pivotal Life Sciences, and board member of Computing for Humanity. With an extensive career spanning academia, tech innovation, and global health, Shiva’s journey exemplifies how AI is transforming drug discovery and healthcare, while also highlighting the importance of supporting women in STEM.
We recently sat down with Dr. Amiri to learn more about her path, the evolution of AI in drug discovery and how we can create more inclusive and impactful futures for science and society.
A Spark Lit Early
“My interest in Math and Science sparked with the support of my family and good teachers. I wish I had had more exposure to Engineering in high school”, Shiva recalls. When I went into university, that was around the time of the Human Genome Project 1999m also the first .com boom was happening, in Silicon Valley. I just thought I am going to need computers for Biology.”
That early fascination led her into computational biology and eventually artificial intelligence, where she found a unique opportunity to combine rigorous science with cutting-edge technology.
From Academia to Innovation
Shiva’s academic journey took her through a double major in Computer Science and Human Biology at the University of Toronto. After her undergraduate studies, she pursued advanced degrees in biomedical research at the University of Oxford, including a PhD focused on Computational Biology and Computational Biophysics. Over time, she began to bridge the gap between academic science and real-world applications, moving into leadership roles in both the private and public sectors.
Today, Shiva works at the forefront of AI innovation in Biotech helping teams use machine learning to accelerate treatment development and optimize decision-making in the life sciences.
High-Performance Computing in Research
During her years in academia, Shiva worked extensively with high-performance computing (HPC) resources. “Access to HPC was critical in my research,” she says. “I appreciated the access to fast hardware. Compute has really advanced in the past 20 years, when I was doing my PhD. Then, if you wanted to simulate 1 nanosecond of one protein, it would take a month on some of the fastest computers. Now, that can be done in a matter of minutes.”
She believes improved access to high performance computing systems can make a difference for academics and researchers working on big scientific problems. “We need more accessible infrastructure and faster onboarding. Democratizing HPC access—like what Computing for Humanity is doing—can unlock innovation from brilliant minds who otherwise wouldn’t have the resources.”
Bridging Industry and Academia
Shiva also sees an urgent need to improve the connection between academic research and industry.
Some people love doing fundamental research, they need to be supported by government grants at their universities. Foundational research and data is ideally shared and open and can be validated by other scientists. “We need to build more of a community on the fundamental science level in biology, and on more application-based work, I think it’s really important to have rigorous checks and balances, one way is by partnering with industry”.
The Role of AI in Drug Discovery
According to Shiva, AI’s impact on drug discovery has been transformative and will continue to expand.
“Traditionally, developing a drug can take over a decade. In drug discovery, we can generate tons of data, build models, and more recently there has been a shift towards foundation models. Higher levels of detail into how drugs, proteins, and the broader networks of interactions in a cell can enhance our understanding of mechanisms of action of a drug, the mechanism of the disease, and so on these foundation models are becoming more advanced and it’s an exciting time in the field. AI allows us to rapidly screen molecules, predict their effectiveness, and even identify patient subgroups more likely to benefit from a treatment,” she says.
Shiva believes in harnessing AI to speed up clinical research, from rare diseases to cancer therapeutics. “I’m excited about the role of AI in medicine,” she notes. “There are always challenges if you are working on things that are being developed and cutting edge. You can’t expect an easy ride.”
Overcoming Challenges—and Opening Doors
Shiva has also faced her share of challenges in the AI field.
Whenever you’re working with new technology, there’s a lot of skepticism around it. There is always new technology, and you have to learn how to work with it. Your team must learn to use it appropriately, test it, and evaluate it.
She emphasizes the importance of creating learning environments that build technical confidence in women and underrepresented groups. “It starts early—in schools, in mentorship, in hiring. Industry can lead the way by establishing methods that will attract and develop the best people, whether they’re men or women.
Final Thoughts
Dr. Shiva Amiri’s story is a reminder that technology is not just about tools—it’s about people, equity, and possibility. At Computing for Humanity, we’re proud to have her guidance on our board as we work to democratize access to AI and computing power for research and innovation.
As AI continues to evolve, voices like Shiva’s are essential—not only for advancing science, but for shaping a more inclusive and impactful future.