Hiring: Director / Senior Director – Cheminformatics and Applied AI Company: Eli Lilly and Company Location: Boston, MA Job Posted Time: 2026-09-03 11:02:25 Target Skills & Keywords : Agile, Machine Learning, PyTorch, Python, Regulatory Compliance, SQL, scikit-learn About the job Experience: •4+ years of drug discovery experience within a pharmaceutical/biotech setting; or BS/MS with 8+ years of equivalent experience. Required Skills: •Lilly’s Early Molecule Discovery (EMD) mission is to identify hits and deliver optimized Leads that advance though Advanced Molecule Design (AMD) into quality drug candidates and, ultimately, breakthrough medicines. •The primary measure of success in this band is portfolio-level impact — resolving the hardest scientific questions through hypothesis- and data-driven approaches, delivering the insights that change the trajectory of multiple programs, and building the scientific capabilities that raise the ceiling on what the function can achieve. •Portfolio Impact: Scientific leadership through direct technical credibility •Serve as a recognized expert in cheminformatics and applied AI/ML, who consistently delivers high-impact scientific contributions and strategies that resolve critical project challenges to advances programs through major milestones. •Strategically drive analytical and machine learning methodology development and applications for the DEL platform: enrichment analysis and denoising of selection data, models trained on DEL output, and their extension to VS of ultra-large synthesizable chemical space. •Identify hard scientific problems limiting program progress and take personal ownership of driving solutions through rigorous and creative scientific thinking. •Stay current with external scientific advances, emerging methodologies, techniques, and enabling technologies and rapidly evaluate, adapt, and deploy those most relevant for advancing program objectives. •Enabling: Scientific Influence and Strategic Partnerships Qualifications: •PhD in Cheminformatics, Computational Chemistry, Chemical Engineering or related field with a minimum of 4+ years of drug discovery experience within a pharmaceutical/biotech setting; or BS/MS with 8+ years of equivalent experience. •Proven ability to provide scientific leadership that shapes organizational capabilities, scientific culture, and strategic direction at the project, platform, and/or portfolio level. •Demonstrated drug-hunter experience with a track record of successfully developing, applying, and championing (new) cheminformatics and applied AI/ML technologies to advance discovery programs through major milestones, such as hit ID, hit-to-lead progress. •Broad understanding of modern data science applied to drug discovery, including predictive modeling, generative design, molecular representations, and model validation and uncertainty. •Proficiency in Python and SQL, cheminformatics toolkits (RDKit, OpenEye), and machine learning libraries (PyTorch, scikit-learn). Fluency with AI coding and research assistants such as Claude Code. •Proven ability to inspire and collaborate with scientists across teams and functions to achieve aspirational goals with demonstrated translation to drug discovery outcomes. •Exceptional track record of scientific innovation evidenced by publications, patents, invited presentations, or other indicators of field-level recognition and external scientific impact. •Outstanding written and verbal communication skills, with demonstrated experience presenting to and influencing senior scientific and business leadership. •Data dependent decision maker; agile and ready to change research priorities as necessary for success. •Demonstrated interest in building inclusive teams and commitment to mentoring early career computational chemists. Interested candidates, please apply directly through the job posting on company's career page or try via AI auto apply on this platform. Don't miss this opportunity to join a forward-thinking team!