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

Summary The mission of Novartis is to reimagine medicine. Our data science team in Discovery Sciences (DSc) at Novartis Biomedical Research, San Diego, drives wet/dry lab convergence using cheminformatics, AI, and data science to accelerate hit‑finding in early drug discovery. You will collaborate closely with experimental and computational partners to develop Lab‑in‑the‑Loop (LiTL) workflows, model deployment, and scalable data pipelines for high‑throughput assay data. Responsibilities Lead and execute the data science strategy for Lab‑in‑the‑Loop workflows to accelerate low‑molecular‑weight therapeutic discovery. Champion best practices for model development and deployment, including monitoring and prediction telemetry, in alignment with enterprise initiatives. Develop and execute in‑silico hit‑finding strategies leveraging internal and external chemical spaces such as Make‑on‑Demand chemical libraries. Apply cheminformatics, generative AI, and multimodal data (structure, chemogenomics, gene expression, imaging) to drive early hit‑finding projects. Internalize and apply cutting‑edge in‑silico methods such as agentic workflows and drug‑target interaction modeling to translate innovation into tangible impact. Design and implement scalable, robust data pipelines for high‑throughput assay data in partnership with informatics and data excellence teams. Qualifications Essential Requirements PhD in cheminformatics, chemistry, or related field; or equivalent degree with applicable experience. 4+ years of post‑graduate experience applying cheminformatics, data science, and machine learning to hit‑finding in early drug discovery. Experience with hit‑finding technologies such as high‑throughput screening and/or advanced phenotypic screening. Excellent scientific communication and data visualization skills. Proficient in Python (scientific ecosystem), agent‑based coding, reproducible research best practices (version control, testing, documentation), databases, and SQL. Strong experience in Linux‑based high‑performance computing and/or cloud environments. Experience implementing AI in Lab‑in‑the‑Loop, iterative, or self‑driving lab workflows; experience with Make‑on‑Demand and virtual spaces like Enamine REAL. Dedication to mutual respect, empathy, and positivity in diverse professional settings. Desirable Requirements Experience orchestrating agents, computational tools, and physical automated screening workflows. Track record of turning project‑specific in‑silico approaches into reproducible, generalizable workflows that impact hit‑finding. Familiarity with ligand–protein docking, generative chemistry, active learning, drug‑target interaction modeling, and free‑energy perturbation. Publication record in peer‑reviewed journals and/or scientific conferences. Salary and Benefits Salary range: $138,600 – $257,400 USD per year. Additional compensation includes a performance‑based cash incentive and potential eligibility for annual equity awards. US‑based eligible employees receive a comprehensive benefits package that includes health, life and disability benefits, a 401(k) with company match, and a generous time‑off package (vacation, personal days, holidays, and other leaves). EEO Statement The Novartis Group of Companies are Equal Opportunity Employers. We do not discriminate in recruitment, hiring, training, promotion or other employment practices for reasons of race, color, religion, sex, national origin, age, sexual orientation, gender identity or expression, marital or veteran status, disability, or any other legally protected status. Accessibility and Reasonable Accommodations The Novartis Group of Companies are committed to providing reasonable accommodations to individuals with disabilities. If you require an accommodation for any part of the application process or to perform the essential functions of the position, please email View email address on click.appcast.io or call View phone number on click.appcast.io and include the job requisition number. #J-18808-Ljbffr U175 (FCRS = US175) Novartis Institutes for BioMedical Research, Inc.