Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding
$138,600–$257,400 year
On-siteSan Diego, California, United States
Job Summary
Senior Expert II, Data Science leading Lab-in-the-Loop (LitL) workflows to accelerate early drug discovery hit finding. Drive data science strategy for LiTL workflows, champion best practices for model development and deployment, and develop in silico hit finding strategies using cheminformatics, generative AI, Make-on-Demand chemistry and multi-modal data (structure, chemogenomics, gene expression, imaging). Collaborate with biologists, chemists, and computational partners to accelerate discovery projects, build scalable data pipelines for high-throughput assay data, and translate methodological innovation into actionable impact. Requires PhD in cheminformatics/chemistry (or related field) and 4+ years of relevant experience; strong communication and ability to work in an interdisciplinary team; experience with Linux-based HPC/cloud environments, Python ecosystem, AI in lab workflows, and Make-on-Demand/testing platforms.
Required Qualifications
- PhD in cheminformatics or chemistry; or related field with demonstrated applicable experience
- 4+ years post-graduate experience applying cheminformatics, data science, and ML to hit finding in early drug discovery
- experience with hit-finding technologies (high-throughput screening and/or advanced phenotypic screening)
- excellent scientific communication
- ability to work in an interdisciplinary team
- strong Linux HPC/cloud experience
- proficiency in Python, SQL; experience with agent-based/agentic coding approaches
- experience with Make-on-Demand and virtual spaces (e.g., Enamine REAL)
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