Scientist (Computation & AI in Drug Discovery), A*STAR BII

A*STAR RESEARCH ENTITIES; Pasir Panjang; On-site; MYR 70,000 - 100,000; Full time

Job summary

A leading research institution in Malaysia is seeking a passionate Computational Scientist to integrate AI/Machine Learning and Drug Discovery. The ideal candidate holds a PhD and has a strong track record in computational methodologies. Responsibilities include designing computational approaches for drug R&D, developing diverse data models, and collaborating with domain experts. Opportunities for mentoring and publishing research findings are also offered.

Qualifications

• PhD in Bioinformatics, Computational Biology, Pharmaceutical Sciences, Biomedical Engineering, Applied Mathematics, Computer Science, or a related field.
• Strong publication record or contributions to open source tools.
• Proficiency with AI/ML methodologies.

Responsibilities

• Design and apply computational and machine learning approaches in drug R&D.
• Develop frameworks to integrate diverse data types into cohesive models.
• Collaborate with experts to tailor computational models to real-world problems.

Skills

AI/ML methodologies

Problem solving skills

Computational modeling

Education

PhD in relevant field

Job description

DESCRIPTION:

We are seeking a passionate and innovative Computational Scientist to join our interdisciplinary research team focused on the integration of Computation, AI/Machine Learning, and Drug Discovery. The ideal candidate is a PhD holder with a track record in developing and applying cutting edge computational methodologies and motivated by the opportunity to bridge the gap between methodological innovation and practical impacts in drug discovery.

RESPONSIBILITIES:

· Design and apply cutting edge computational and machine learning approaches across key stages of drug R&D, including target identification, lead optimization, translational predictive modeling and patient selection.

· 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 strategic initiatives.

· Mentor junior team members and contribute to a collaborative, cross disciplinary research environment.

REQUIREMENT:

· PhD in Bioinformatics, Computational Biology, Pharmaceutical Sciences, Biomedical Engineering, Applied Mathematics, Computer Science, 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.

· Proficiency 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 preferred.

· Eagerness to learn and advance the state of the art.

· Interest in areas of AI/ML such as Active Learning, Geometric Deep Learning, Multi Modal Learning, Causal ML, Generative Models, and Agentic AI.

The above eligibility criteria are not exhaustive. A*STAR may include additional selection criteria based on its prevailing recruitment policies. These policies may be amended from time to time without notice. We regret that only shortlisted candidates will be notified.