Senior Advisor – AI for 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 at Lilly. Sitting 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.

What You Will Do

• 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."  You will 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 optimization strategies. You will ensure your models respect the nuance of synthetic feasibility and biological relevance.
• Foster a culture where technical excellence meets scientific pragmatism. You will mentor junior scientists not just on code quality, but 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.
• You have 3+ years of post-graduation industry experience in a drug discovery environment in driving discovery teams and you understand the life cycle of a drug project.
• Solid understanding of medicinal chemistry, ADME, and Tox principles. You 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 vs. 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.

Lilly is dedicated to helping individuals with disabilities to actively engage in the workforce, ensuring equal opportunities when vying for positions.

Lilly is 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 (https://careers.lilly.com/us/en/workplace-accommodation) 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.

Lilly is proud to be an EEO Employer and does not discriminate on the basis of age, race, color, religion, gender identity, sex, gender expression, sexual orientation, genetic information, ancestry, national origin, protected veteran status, disability, or any other legally protected status.

Our employee resource groups (ERGs) offer strong support networks for their members and are open to all employees. Our current groups include: Africa, Middle East, Central Asia Network, Black Employees at Lilly, Chinese Culture Network, Japanese International Leadership Network (JILN), Lilly India Network, Organization of Latinx at Lilly (OLA), PRIDE (LGBTQ+ Allies), Veterans Leadership Network (VLN), Women’s Initiative for Leading at Lilly (WILL), enAble (for people with disabilities). Learn more about all of our groups.

Actual compensation will depend on a candidate’s education, experience, skills, and geographic location.  The anticipated wage for this position is

Full-time equivalent employees also will be eligible for a company bonus (depending, in part, on company and individual performance). In addition, Lilly offers a comprehensive benefit program to eligible employees, including eligibility to participate in a company-sponsored 401(k); pension; vacation benefits; eligibility for medical, dental, vision and prescription drug benefits; flexible benefits (e.g., healthcare and/or dependent day care flexible spending accounts); life insurance and death benefits; certain time off and leave of absence benefits; and well-being benefits (e.g., employee assistance program, fitness benefits, and employee clubs and activities).Lilly reserves the right to amend, modify, or terminate its compensation and benefit programs in its sole discretion and Lilly’s compensation practices and guidelines will apply regarding the details of any promotion or transfer of Lilly employees.

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