(Senior) Research Investigator/Principal Investigator, AIDD (ADC)

We are seeking a highly motivated Ph.D. expert with a profound scientific background in computational chemistry/biology and exceptional AI/ML skills to join our AI Drug Discovery (AIDD) team. The successful candidate will focus on advancing computational and AI-driven approaches for Antibody-Drug Conjugates (ADCs), specifically leading linker design, pharmacokinetic (PK) prediction and multi-parameters optimization. In this role, you will work closely with cross-functional teams (Biologics, Medicinal Chemistry and DMPK) to accelerate the discovery of differentiated ADC candidates. Key Responsibilities 1. Advancing AI & Computational Methodologies for ADCs • ADC PK Prediction: Develop hybrid AI and mechanistic PK models (PBPK, QSP, compartment modeling) to predict ADC pharmacokinetic profiles, including clearance, half-life, plasma/circulation stability, cleavage kinetics and deconjugation rates. • Linker-Payload Design & Multi-Parameter Optimization: Develop generative AI models, physics-based simulations, and computational frameworks for de novo Linker-Payload design, site-specific conjugation design, and structure-property relationship (SPR) modeling. 2. Cross-Functional Pipeline Enablement • Targeted Project Support: Deploy bespoke AI/CADD solutions to address project-specific bottlenecks in ongoing ADC campaigns, accelerating linker-payload pairing, candidate selection, and optimization. • Cross-Disciplinary Synergy: Collaborate closely with Biologics, ADC Chemistry, and DMPK teams to integrate experimental data feedback loops into AI model training and iterative molecule design. Qualifications Education & Scientific Fundamentals Ph.D. in Computational Chemistry, Cheminformatics, Computational Biology, Pharmacometrics/PKPD Modeling, Computer Science (AI/ML for Life Sciences), or a related field. Demonstrated track record in developing and deploying AIDD or computational methods in drug discovery and molecular modeling (evidenced by high-impact publications, patents, thesis research, or pipeline implementations) in at least one of the following areas (prior experience in ADCs or bioconjugates is a strong bonus): Computational Linker & Small Molecule Generation: Expertise in computational linker design, scaffold hopping, de novo molecular generation, or multiparameter lead optimization (experience in ADC linkers or bioconjugates is a plus). AI Antibody Design & Engineering for PK/PD: Expertise in AI/computational antibody/protein design, binder optimization, or protein engineering targeted at optimizing biophysical and PK/PD properties (e.g., stability, clearance, Fc/FcRn engineering) (experience in ADCs or therapeutic antibodies is a plus). Small Molecule ADMET Prediction: Strong track record in developing machine learning/deep learning models for small molecule ADMET property prediction, clearance, or quantitative structure-activity/property relationships (QSAR/QSPR) (experience in ADC payloads/linkers or PK/PD modeling is a plus). Technical & Engineering Skills Proficient in Python, with extensive experience using cheminformatics/structural biology libraries (e.g., RDKit, OpenBabel, OpenMM, PyMOL). Expertise in deep learning frameworks (PyTorch, TensorFlow) and relevant architectures (GNNs, Generative Models, Diffusion Models, Transformers) applied to molecular or ADME/PK tasks. Strong software engineering practices with the ability to lead the design, implementation, and maintenance of robust AI platforms. Familiarity with CADD tools (molecular docking, MD simulations) or PK/PD modeling tools (e.g., Simcyp, PK-Sim, NONMEM, Julia/SciML) is a plus. Soft Skills Fast Learner: Ability to quickly absorb experimental assay nuances, track cutting-edge ADC industry advancements, and understand translational drug workflows. Independent Research: Strong capability to independently tackle complex, multidisciplinary R&D challenges at the intersection of chemistry, biology, and data science. Communication: Excellent cross-disciplinary communication skills, capable of translating algorithmic and ML models into actionable chemical, DMPK, and biological insights. Preferred Qualifications Open to fresh Ph.D. graduates with exemplary doctoral publications/thesis OR candidates with 1–3+ years of biotech/pharma industry or post-doc experience directly supporting ADC or bioconjugate drug discovery pipelines. Demonstrated experience in building computational PK/PD or machine learning models for ADME/PK prediction in small molecules or biologics. Experience in developing integrated AI tool platforms for drug discovery teams. 百济神州全球胜任力 当我们通过以下十二项全球胜任力，展现出 "患者为先"、"无界协作"、"锐意创新 "和 "追求卓越 "的价值观时，我们就能帮助全世界更多患者获得更多负担得起的药品。 ●团队协作 ●提供并征求坦诚及可行的反馈 ●自我认知 ●兼容并蓄 ●积极主动 ●开拓精神 ●持续学习 ●拥抱变化 ●结果导向 ●分析性思维/数据分析 ●卓越财务 ●清晰沟通 BeOne Global Competencies When we exhibit our values of Patients First, Collaborative Spirit, Bold Ingenuity and Driving Excellence, through our twelve global competencies below, we help get more affordable medicines to more patients around the world. ●Fosters Teamwork ●Provides and Solicits Honest and Actionable Feedback ●Self-Awareness ●Acts Inclusively ●Demonstrates Initiative ●Entrepreneurial Mindset ●Continuous Learning ●Embraces Change ●Results-Oriented ●Analytical Thinking/Data Analysis ●Financial Excellence ●Communicates with Clarity 求职者隐私申明： 百济神州致力于尊重和保护您的个人信息权利，并承诺依据合法、正当、必要和诚信的原则处理您的个人信息（包括个人敏感信息 ）。 由于百济神州在全球范围内开展业务，我们可能需要基于人力资源管理等合理业务目的而将您的个人信息发送和/或存储在位于您所在国家以外其他国家（例如：美国）的服务器和数据库中，详情参见百济神州《求职者隐私政策》（百济神州官网 - 隐私政策 - 求职者隐私政策）。 如您主动向我们提供您的简历信息或其他个人信息，则视为您已经充分理解并确认接受百济神州《求职者隐私政策》内容。如您对此有任何疑问的，请勿提交简历信息或其他个人信息。 BeOne is committed to respect and protect your personal information rights, and will process your personal information, including your sensitive personal information, based on the principles of legality, legitimacy, necessity, and integrity. Due to the reasonable business need for human resource management as a result of BeOne’s global operation, your personal information may be transferred and/ or stored in a server/database located in a third country (e.g., the United States) other than your own country. For further details, please refer to BeOne Job Applicant Privacy Policy (BeOne official website - Privacy Policy - Job Applicant Privacy Policy). If you voluntarily provide your resume or other personal information to us, it is deemed as you have thoroughly acknowledged and accepted BeOne Job Applicant Privacy Policy. If you have any concern, please DO NOT submit your resume or any other personal information 申请职位 © 2023-2024 百济神州（北京）生物医药有限公司 京公网安备 11010802024479号京ICP备15060035号-3 招聘微信号 招聘微信号 招聘视频号 招聘视频号 官方微信号 官方微信号

PK tasks. Strong software engineering practices with the ability to lead the design, implementation, and maintenance of robust AI platforms. Familiarity with CADD tools (molecular docking, MD simulations) or PK/PD modeling tools (e.g., Simcyp, PK-Sim, NONMEM, Julia/SciML) is a plus. Soft Skills Fast Learner: Ability to quickly absorb experimental assay nuances, track cutting-edge ADC industry advancements, and understand translational drug workflows. Independent Research: Strong capability to independently tackle complex, multidisciplinary R&D challenges at the intersection of chemistry, biology, and data science. Communication: Excellent cross-disciplinary communication skills, capable of translating algorithmic and ML models into actionable chemical, DMPK, and biological insights. Preferred Qualifications Open to fresh Ph.D. graduates with exemplary doctoral publications/thesis OR candidates with 1–3+ years of biotech/pharma industry or post-doc experience directly supporting ADC or bioconjugate drug discovery pipelines. Demonstrated experience in building computational PK/PD or machine learning models for ADME/PK prediction in small molecules or biologics. Experience in developing integrated AI tool platforms for drug discovery teams. 百济神州全球胜任力 当我们通过以下十二项全球胜任力，展现出 "患者为先"、"无界协作"、"锐意创新 "和 "追求卓越 "的价值观时，我们就能帮助全世界更多患者获得更多负担得起的药品。 ●团队协作 ●提供并征求坦诚及可行的反馈 ●自我认知 ●兼容并蓄 ●积极主动 ●开拓精神 ●持续学习 ●拥抱变化 ●结果导向 ●分析性思维/数据分析 ●卓越财务 ●清晰沟通 BeOne Global Competencies When we exhibit our values of Patients First, Collaborative Spirit, Bold Ingenuity and Driving Excellence, through our twelve global competencies below, we help get more affordable medicines to more patients around the world. ●Fosters Teamwork ●Provides and Solicits Honest and Actionable Feedback ●Self-Awareness ●Acts Inclusively ●Demonstrates Initiative ●Entrepreneurial Mindset ●Continuous Learning ●Embraces Change ●Results-Oriented ●Analytical Thinking/Data Analysis ●Financial Excellence ●Communicates with Clarity 求职者隐私申明： 百济神州致力于尊重和保护您的个人信息权利，并承诺依据合法、正当、必要和诚信的原则处理您的个人信息（包括个人敏感信息 ）。 由于百济神州在全球范围内开展业务，我们可能需要基于人力资源管理等合理业务目的而将您的个人信息发送和/或存储在位于您所在国家以外其他国家（例如：美国）的服务器和数据库中，详情参见百济神州《求职者隐私政策》（百济神州官网 - 隐私政策 - 求职者隐私政策）。 如您主动向我们提供您的简历信息或其他个人信息，则视为您已经充分理解并确认接受百济神州《求职者隐私政策》内容。如您对此有任何疑问的，请勿提交简历信息或其他个人信息。 BeOne is committed to respect and protect your personal information rights, and will process your personal information, including your sensitive personal information, based on the principles of legality, legitimacy, necessity, and integrity. Due to the reasonable business need for human resource management as a result of BeOne’s global operation, your personal information may be transferred and/ or stored in a server/database located in a third country (e.g., the United States) other than your own country. For further details, please refer to BeOne Job Applicant Privacy Policy (BeOne official website - Privacy Policy - Job Applicant Privacy Policy). If you voluntarily provide your resume or other personal information to us, it is deemed as you have thoroughly acknowledged and accepted BeOne Job Applicant Privacy Policy. If you have any concern, please DO NOT submit your resume or any other personal information 申请职位 © 2023-2024 百济神州（北京）生物医药有限公司 京公网安备 11010802024479号京ICP备15060035号-3 招聘微信号 招聘微信号 招聘视频号 招聘视频号 官方微信号 官方微信号