A*STAR

Scientist, Drug Discovery

A*STAR
ResearchSingaporeFull-time3 weeks ago

About the role

AI summarised

We are seeking a PhD-level Computational Scientist to join an interdisciplinary research team focused on integrating computation, AI/ML, and drug discovery. The role involves developing novel computational methodologies to accelerate drug R&D, collaborating with domain experts, and publishing research.

ResearchFull-timeBioinformatics Institute

Key Responsibilities

  • Design and deploy innovative computational approaches - integrating physics-informed, biology-informed, causal and uncertainty-aware machine learning — to accelerate and de-risk key stages of drug R&D, including target/biomarker identification, molecular optimization, translational predictive modeling.
  • Develop and optimize computational frameworks that integrate diverse data types (chemical, biological, omics, clinical) into cohesive models.
  • Collaborate with domain experts in computational biology, cheminformatics, pharmacology, and drug discovery to tailor computational models to real-world problems.
  • Publish research findings in leading journals and conferences, and contribute to partnerships and strategic initiatives as opportunities arise.
  • Mentor junior team members and contribute to a collaborative, cross-disciplinary research environment.

Requirements

  • PhD in Artificial Intelligence/Computer Science, Bioinformatics, Computational Biology, Biomedical Engineering, Applied Mathematics, Pharmaceutical Sciences or a related field, with a focus on machine learning or computational modeling.
  • Strong publication record or demonstrable contributions to open-source tools or reproducible research.
  • Demonstrated expertise with AI/ML methodologies and implementations.
  • Excellent problem-solving skills, with an ability to balance theoretical rigor with practical implementation.
  • Familiarity with challenges in drug discovery and development.
  • Research interest in areas of AI/ML such as Multi-Agent Systems, Physics-Informed ML, Causal AI, Neuro-Symbolic AI, Uncertainty Quantification, Active Learning, Geometric Deep Learning.