Senior Computational Scientist — AI-Driven Drug Discovery

A*STAR RESEARCH ENTITIES; Singapore; On-site; SGD 180,000 - 240,000; Full time

Job summary

A*STAR RESEARCH ENTITIES is seeking a PhD-level Computational Scientist to bridge methodological innovation and real-world drug discovery impacts. You will join an interdisciplinary team focused on integrating Computation, AI/ML, and Drug Discovery to develop novel computational methodologies and advance medicines development.

The role emphasizes leading-edge AI/ML, collaboration with domain experts, and publishing findings while mentoring junior researchers in a cross-disciplinary environment.

Qualifications

• PhD in AI/CS, Bioinformatics, Computational Biology, Biomedical Engineering or related field with ML or computational modeling focus.
• 8+ years of relevant experience required.
• Strong publication record or open-source contributions preferred.

Responsibilities

• Design and deploy innovative computational approaches using physics-/biology-informed, causal and uncertainty-aware ML to accelerate drug R&D stages.
• Develop computational frameworks integrating chemical, biological, omics and clinical data into cohesive models.
• Collaborate with computational biology, cheminformatics, pharmacology and drug discovery teams to tailor models for real-world problems.
• Publish findings in leading journals/conferences and contribute to partnerships; mentor junior team members.

Skills

AI/ML methodologies

Computational modeling

Cross-disciplinary collaboration

Research publication

Education

PhD in AI/CS or related field

Job description

A*STAR RESEARCH ENTITIES is seeking a PhD-level Computational Scientist to bridge methodological innovation and real-world drug discovery impacts. You will join an interdisciplinary team focused on integrating Computation, AI/ML, and Drug Discovery to develop novel computational methodologies and advance medicines development.

The role emphasizes leading-edge AI/ML, collaboration with domain experts, and publishing findings while mentoring junior researchers in a cross-disciplinary environment.