Senior Scientist/Associate Principal Scientist, AI for small-molecule

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From AstraZeneca’s original posting

About the Role: We are seeking a driven, creative, and collaborative AI scientist to join our newly established Chemistry AI Innovation Team at the Beijing R&D Center. This world-class team will focus on developing cutting-edge AI models to revolutionize small-molecule hit-finding and optimization. You will work in close partnership with global chemistry AI/data scientists and chemists in the UK, the US, and Sweden, enabling rapid data generation, curation, and model training with innovative computational approaches. This is a fantastic opportunity to shape the future of drug discovery through impactful AI-driven science, in a vibrant, newly formed team at the heart of AstraZeneca’s research network. Key Responsibilities you will: • Design, develop, benchmark, and implement advanced AI/ML models (self-supervised and supervised) for small molecule drug discovery, including structure prediction co-folding models, affinity prediction models, and de novo design algorithms. • Collaborate closely with expert medicinal and computational chemists, across AZ sites, to discover optimized hits as starting points for new drug discovery projects. • Integrate machine learning with domain…