Experteer Overview In this role you will apply cutting-edge computational chemistry, AI/ML, and cheminformatics to accelerate hit-to-lead discovery for difficult targets.

You will partner with Lilly’s LSMD and biotech collaborators to design screening strategies and generate high-quality models.

You’ll lead data-driven decisions across target assessment, library design, and lead optimization in a fast-paced, collaborative environment.

This position offers the chance to shape early drug discovery using state-of-the-art tools and an integrated platform ecosystem.

You will contribute to transformative therapies while expanding computational capabilities across modalities.

Compensaciones / Ventajas• Lead bench-level computational chemistry efforts including virtual screening, ML/AI, and analytics to support target and lead generation• Collaborate with biotech teams and external scientists to design screening libraries and testable design hypotheses• Guide application of cheminformatics and ML methods for library design, hit prioritization,



and lead expansion• Leverage emerging technologies to accelerate difficult targets and deliver high-quality leads• Collaborate with Tune

Lab platform colleagues to advance predictive modeling and hit-to-lead discovery• Deliver rigorous data, analyses, and models to project teams to inform decisions on chemical series• Learn and adapt to non-small-molecule modalities (antibodies, RNA therapeutics) for future capability expansion• Provide scientific leadership and strategic guidance across Explo

Ru0026D computational chemistry activities

Responsabilidades• PhD in Computational Chemistry, Cheminformatics, Comp

Biophysics or related field with 7+ years of experience (or MS with 10+ years, or BS with 15+ years)• Strong track record in computational chemistry, virtual screening, and cheminformatics with evidence in publications or patents

Requisitos principales• competitive compensation• bonus eligibility• 401(k) plan• comprehensive medical/dental/vision• flexible benefits• life insurance and disability benefits

📌 Director / Sr. Director of Computational Chemistry for Molecule Discovery - ExploR&D (Madrid)
🏢 Eli Lilly
📍 Madrid