Senior Digital Drug Hunter, Molecular Intelligence and Data

About this role

Responsibilities

• Orion is seeking a highly motivated and scientifically driven Senior Digital Drug Hunter to join our Molecular Intelligence and Data unit. This is a hands-on, project-facing role for a proactive computational scientist who thrives on ownership, scientific debate, and real impact in small molecule drug discovery.
• In this position, you will shape multi parameter optimization (MPO) strategies across live drug discovery programs. Working at the interface of medicinal chemistry and computational science, you will ensure that computational insight is deeply embedded in project decision making-not as an afterthought, but as a driver of molecular design.
• We are not looking for a tool operator, but for a scientist who can challenge project direction and influence molecular design decision.
• As a Senior Digital Drug Hunter, you will act as a core project scientist, partnering closely with medicinal chemists while drawing on the broad expertise of the Molecular Intelligence and Data unit.
• Your role goes beyond service delivery as you will proactively steer molecular design, question assumptions, and ensure computational methods are applied where they make a measurable difference.
• You will collaborate with experts across cheminformatics, ML/AI, structural biology, and physics-based modeling, translating scientific questions into actionable computational strategies that move projects forward.
• At the heart of discovery projects, you will:
• Shape molecular design and structural hypotheses in close partnership with medicinal chemists, balancing complex multi parameter optimization (MPO) trade offs to guide compound evolution
• Design and lead virtual screening and hypothesis driven computational studies to identify, prioritize, and de risk novel chemical matter
• Apply and integrate a broad spectrum of computational approaches-structure based, ligand based, and data driven-to actively steer compound optimization across diverse target classes and modal