Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding
Core
Lead data science strategy for Lab-in-the-Loop workflows to accelerate low-molecular-weight therapeutic discovery by integrating cheminformatics, AI, and data science with experimental teams.
Role type
Senior Expert II, Data Science (IC)
Builds
Scalable data pipelines for high-throughput assay data and in silico hit finding strategies using virtual chemical spaces.
Domain
Pharmaceutical drug discovery (early phase) / Cheminformatics / AI
Deliverable
production ML models
Required skills
Cheminformatics, Generative AI, Agentic workflows, Python scientific ecosystem, SQL, Linux HPC/cloud environments, High-throughput screening, Virtual chemical spaces (Enamine REAL)
Preferred skills
Agent orchestration, Ligand protein docking, Generative chemistry, Active learning, Drug-target interaction modeling, Free energy perturbation
Technologies
Python, SQL, Enamine REAL, Linux, Cloud environments
Responsibilities
Lead and execute data science strategy for Lab-in-the-Loop workflows; Develop in silico hit finding strategies leveraging virtual chemical spaces; Apply in silico approaches with multi-modal data to drive early hit finding; Drive design and implementation of scalable data pipelines for high-throughput assay data.
Seniority
Senior, hands-on IC
