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Associate Principal Scientist, AI for Chemical Toxicology

Beijing Yizhuang💼 Full-time🗓 2026-04-23 → 2026-07-31

Core

Lead next-generation predictive safety modelling at scale using chemoinformatics, bioinformatics, and AI/ML to deliver decision-shaping safety insights and inform risk assessment and progression decisions in drug development.

Role type

Associate Principal Scientist, AI for Chemical Toxicology

Builds

Predictive safety models, reproducible workflows, and model validation frameworks for drug development.

Domain

Pharmaceutical R&D, Chemical Toxicology, AI/ML

Deliverable

production ML models

Required skills

Chemoinformatics, Bioinformatics, AI/ML (PyTorch, TensorFlow, scikit-learn), Advanced Python or R, Multimodal data integration (chemical descriptors, omics, imaging, NAMs), MLOps/DevOps practices, Scientific leadership, Strategic modelling

Preferred skills

Safety Omics, Cell Painting, imaging data, Toxicology/Pharmacology/ADME background, Cloud computing, Workflow automation, Publications in top AI conferences/journals, Supervising scientists

Technologies

PyTorch, TensorFlow, scikit-learn, GitHub, CI/CD pipelines

Responsibilities

Develop, optimise, and deploy predictive safety models; Create reproducible workflows and data QC procedures; Integrate multimodal biological and chemical datasets; Serve as scientific lead for project teams; Drive innovation and identify strategic modelling opportunities; Lead collaborations with academia and technology partners; Mentor junior scientists

Seniority

Associate Principal, hands-on IC with strategic influence

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