Head of AI Drug Discovery

Lead the development and continuous evolution of the AI platform for small molecule drug discovery, including algorithm selection, model development and training, and data infrastructure construction (e.g., molecular libraries, target data, ADMET datasets). About the Role Optimize core AI-assisted drug design workflows to improve platform accuracy, efficiency, and scalability. Drive AI-enabled small molecule drug discovery projects by applying AI technologies to target prediction, molecular design, virtual screening, and druggability optimization. Responsibilities Collaborate closely with traditional drug discovery teams to integrate AI methodologies into experimental research, shorten development timelines, and reduce R&D costs. Stay abreast of emerging technologies and industry trends in AI-driven drug discovery, including generative AI, multimodal foundation models, and other cutting-edge approaches. Identify new application opportunities and propose innovative research directions and technology enhancement strategies aligned with the company’s scientific and business objectives. Build, lead, and manage a multidisciplinary AI drug discovery team, including AI/ML engineers, data scientists, computational scientists, and drug discovery researchers. Oversee talent acquisition, development, performance management, and team capability building to foster innovation and cross-functional collaboration. Ensure compliance and governance of AI research platforms, including data security, model traceability, and regulatory requirements. Collaborate with internal R&D, quality, and other functional teams to facilitate the translation and implementation of AI-driven research outcomes. Establish and maintain collaborations with external technology partners, academic institutions, and research organizations. Participate in the development of the company’s small molecule R&D strategy, pipeline planning, and budget management. Regularly report platform progress, project outcomes, and technical challenges to senior management and provide recommendations for continuous improvement. #J-18808-Ljbffr Simcere Pharmaceutical Group