Senior Advisor – AI Science; ADMET Intelligence

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our employees around the world work to discover and bring life‑changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first.

We’re looking for people who are determined to make life better for people around the world.

Lilly is a global healthcare leader headquartered in Indianapolis, Indiana. Our 45,000+ employees around the world work to discover and bring life‑changing medicines to those who need them. At Lilly, the Investigative ADME, Toxicology and Bio‑Analytical Research team focuses on drug discovery using ground‑breaking science and technology approaches to treat diseases with poor treatment options.

We are seeking a technical leader to architect the next generation of drug discovery ting at the intersection of AI/ML, Chemistry, and Biology, you will develop innovative technologies that fundamentally change how we understand biology, navigate chemical space, and discover drugs. You will lead the transformation of our discovery engine, and drive cross‑functional programs that integrate computational science into the day‑to‑day decisions in drug discovery.

Geography for this position is flexible.

• Computational lead for drug discovery programs, ensuring that computational insights are key drivers of critical Go/No‑Go decisions, rather than just supporting data.
• Move beyond "throwing predictions over the fence." Work side‑by‑side with experimentalists to develop active learning cycles that are practically executable in the lab and statistically rigorous.
• Translate sophisticated biological and chemistry questions into tractable computational problems. Identify specific bottlenecks in the discovery pipeline, from Hit Identification to Lead Optimization, where AI/ML can meaningfully increase Probability of Success (PoS).
• Partner deeply with medicinal chemists, DMPK scientists, and biologists to build holistic optimisation strategies. Ensure models respect the nuance of synthetic feasibility and biological relevance.
• Foster a culture where technical excellence meets scientific pragmatism. Mentor junior scientists on code quality and on how to integrate AI/ML effectively to real‑world drug discovery challenges.
• Scout and evaluate external technologies, from academic breakthroughs to startup tools, integrating the best solutions to amplify our internal capabilities.

• PhD in a quantitative discipline (Computer Science, Chemistry, Physics, Biology, etc.) with a strong focus on molecular sciences.
• 3+ years of post‑graduation industry experience in a drug discovery environment, driving discovery teams and understanding the life cycle of a drug project.
• Solid understanding of medicinal chemistry, ADME, and Tox principles. Understand why a model might fail in a real project even if its validation loss is low.
• Expert proficiency in modern AI/ML paired with the pragmatism to know when to use a simple model versus a complex architecture.
• First‑author publications in high‑impact venues.
• Track‑record where your computational contributions directly influenced the progression of a molecule or the strategy of a discovery program.
• Demonstrated ability to translate complex technical concepts into strategic value for senior leadership and cross‑functional partners.

We are dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions. If you require accommodation to submit a resume for a position at Lilly, please complete the accommodation request form () for further assistance. Please note this is for individuals to request an accommodation as part of the application process and any other correspondence will not receive a response.

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