Hiring.Camp

Associate Principal Scientist, AI for Chemical Toxicology

AstraZeneca is

·

Apr 23, 2026

Location
Beijing Yizhuang, China
Type
Full-time
Department
Education
Seniority
Entry
Education
PhD
Source
Workday

Description

About the team 

Predictive AI and Data team is responsible for providing AI and Bioinformatics solutions to the scientists across the spectrum of drug development and discovery in AstraZeneca (both pre-clinical and clinical stages). The primary aim is to find ways to accelerate the drug development process by leveraging existing company data in combination with the most cutting-edge AI approaches in day-to-day scientific work across the company. 

Introduction to role 

In this role you will lead the nextgeneration predictive safety modelling at scale, applying chemoinformatics, bioinformatics and AI/ML to deliver decision-shaping safety insights and cross-functional scientific leadership. Provide scientific leadership for predictive safety modelling, integrating chemical and biological data (e.g., Safety Omics, Cell Painting, NAMs) to inform risk assessment and progression decisions. This is a fully hands-on, computational role with cross-functional influence. 

Accountabilities 

  • Develop, optimise and deploy predictive safety models using chemoinformatics, bioinformatics and ML/DL. 

  • Create reproducible workflows, data QC procedures and model validation frameworks. 

  • Integrate multimodal data: chemical descriptors, omics, imaging and NAM datasets. 

  • Serve as scientific lead for project teams and influence program strategy. 

  • Drive innovation and identify strategic modelling opportunities across R&D. 

  • Lead collaborations with academia, consortia and technology partners. 

  • Mentor junior scientists and contribute to capability building. 

  • Communicate complex modelling concepts to diverse scientific and governance audiences. 

Essential Skills/Experience 

  • PhD in Chemoinformatics, Bioinformatics, Computational Toxicology or related field. 

  • Strong AI/ML experience (PyTorch, TensorFlow, scikit-learn). 

  • Advanced Python or R programming skills. 

  • Familiarity with GitHub, CI/CD pipeline, and best DevOps and MLOps practices 

  • Experience with multimodal biological + chemical datasets. 

  • Proven leadership in delivering impactful modelling work. 

  • Excellent communication and stakeholder engagement skills. 

  • Acts as discipline leader and shapes scientific strategy. 

  • Solves complex problems using scientific judgement. 

  • Builds strong cross-functional relationships and networks. 

  • Coaches and mentors others, enhancing team capability. 

Desirable Skills/Experience 

  • Experience with Safety Omics, Cell Painting or imaging data. 

  • Background in toxicology, pharmacology or ADME. 

  • Experience with cloud computing or workflow automation. 

  • Track record of publications in top AI conferences or journals in pharmaceutical research (e.g., NeurIPS, ICML, Nature Machine Intelligence, Nature Communications, NEJM AI, etc.) 

  • Experience supervising scientists or managing collaborations. 

Date Posted

23-4月-2026

Closing Date

AstraZeneca embraces diversity and equality of opportunity.  We are committed to building an inclusive and diverse team representing all backgrounds, with as wide a range of perspectives as possible, and harnessing industry-leading skills.  We believe that the more inclusive we are, the better our work will be.  We welcome and consider applications to join our team from all qualified candidates, regardless of their characteristics.  We comply with all applicable laws and regulations on non-discrimination in employment (and recruitment), as well as work authorization and employment eligibility verification requirements.

Skills

PythonCI/CDTensorFlowPyTorchScikit-learnGitHubDevOpsR

Similar Jobs

30

Associate Principal Scientist

Evotec · Princeton, NJ, United States of America

4 weeks ago

Associate Principal Scientist

Evotecgroup · Princeton, NJ, United States of America

4 weeks ago

Associate Principal Scientist, Liquid Chromatography-Mass Spectrometry (LCMS) Assay Development

Iqvia · Ithaca, New York, United States of America

4 days ago

Senior / Principal Associate Scientist, Advanced Cell Engineering

Strand Therapeutics · Boston, Massachusetts

4 days ago

Associate Principal Scientist Extractables & Leachables 80-100%

Lonza · CH - Basel, Switzerland

6 days ago

Senior Principal Scientist/Associate Director Clinical PBPK (Dual Level Posting)

Novartis · Basel (City), Switzerland · Hybrid

1 week ago

Associate Principal Scientist, Process Chemistry

Msd · USA - New Jersey - Rahway, United States of America

1 week ago

Associate Principal Scientist - Process Analytical Technology (PAT) and Chemometrics

AstraZeneca is · China - Wuxi

1 week ago

Associate Principal Scientist, Epidemiology

Msd · USA - Pennsylvania - West Point, United States of America · Hybrid

1 week ago

Associate Principal Scientist, Biostatistics

Msd · USA - Pennsylvania - North Wales (Upper Gwynedd), United States of America +1 · Hybrid

1 week ago

Associate Principal Scientist/Engineer, Medical Device and Combination Products, Analytical

Msd · USA - Pennsylvania - West Point, United States of America

1 week ago

Scientist / Associate Principal Scientist - Biotransformation

Tateandlyle · Atlanta, GA-CPKelco, United States of America

1 week ago

Associate Principal Scientist, Mass Spectrometry

Msd · USA - Pennsylvania - West Point, United States of America

1 week ago

Senior Principal Scientist/Associate Director Clinical PBPK (Dual Level Posting)

Novartis · Basel (City), Switzerland · Hybrid

1 week ago

Senior/Associate Principal Scientist

AstraZeneca is · Shanghai Jing'An Office, China

2 weeks ago

Senior Principal Scientist / Associate Director– Soluble Biomarkers, Molecular & Cellular Sciences (MCS)

Novartis · Basel (City), Switzerland · Hybrid

2 weeks ago

Associate Principal Scientist, Engineering Crystallization Laboratory (Onsite)

Msd · USA - New Jersey - Rahway, United States of America

2 weeks ago

Associate Principal Scientist, Innovation

Liquid I.V. · El Segundo, CA +1

3 weeks ago

Associate Principal Scientist/Engineer, Medical Device and Combination Products, ISO/DV Testing Manager

Msd · USA - Pennsylvania - West Point, United States of America

3 weeks ago

Clinical Safety and Risk Management Associate Principal Scientist

Msd · CZE - Central Bohemian - Prague (Five), Czechia +1 · Hybrid

3 weeks ago

Associate Principal Scientist - Cheminformatics

AstraZeneca · Mölndal, Västra Götaland County,SE, SE

3 weeks ago

Principal Associate Scientist, Biology

Xaira Therapeutics · South San Francisco, California, United States

3 weeks ago

Principal Scientist / Associate Director, Agentic AI Research for Materials Science

Lilasciences · Cambridge, MA USA; San Francisco, CA USA

1 month ago

Associate Principal Scientist - Sensory

Tateandlyle · Shanghai, China

1 month ago

Associate Principal Scientist, Immunology Discovery

Msd · USA - California - San Diego (Science Park Road), United States of America

1 month ago

Associate Scientist/Principal Associate Scientist - Oligonucleotide Chemistry

Alloy Therapeutics · Waltham, MA

1 month ago

Senior Scientist/Associate Principal Scientist, AI

AstraZeneca is · Beijing Yizhuang, China

1 month ago

Associate Principal Scientist (Associate Director) - Outcomes Research - Hematology

Msd · USA - New Jersey - Rahway, United States of America +1 · Hybrid

1 month ago

Principal Associate Scientist, Target Validation

Alnylam Pharmaceuticals · US +1 · Onsite

1 month ago

Associate Principal Scientist, Engineering

Msd · USA - New Jersey - Rahway, United States of America

1 month ago