Data Science, Cheminformatics & AI: Lab-in-the-Loop Hit Finding

Role: Senior Expert II, Data Science in early drug discovery at Novartis, focused on integrating cheminformatics, AI, and data science to accelerate hit finding in small-molecule therapeutics. Responsibilities: lead development and execution of in silico hit finding strategies using virtual chemical spaces and multi-modal data; drive the design of scalable data pipelines for high-throughput assay data; champion best practices in model deployment and prediction telemetry within Lab-in-the-Loop workflows; collaborate with multidisciplinary teams including biologists, chemists, and computational scientists. Requirements: PhD in cheminformatics, chemistry, or related field; 4+ years post-graduate experience applying data science and machine learning to early-stage drug discovery; proficiency in Python, Linux, cloud computing, and experience with high-throughput screening or phenotypic assays; strong communication skills and ability to work in interdisciplinary teams. Preferred: experience with agent-based modeling, generative chemistry, drug-target interaction modeling, and virtual compound spaces like Make-on-Demand; demonstrated impact through reproducible workflows and publications. HighValue: focus on small-molecule therapeutics, in silico hit finding, AI integration in Lab-in-the-Loop workflows, and virtual screening platforms. Location: onsite San Diego, CA.