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Computational Chemist

A*STAR - Agency for Science, Technology and ResearchSingaporePosted 20 May 2026

A*STAR is seeking a Computational Chemist to join the Singapore national AI in Drug Discovery program. The role involves using computational models and machine learning to design novel molecules and advance drug discovery projects. Candidates are required to have advanced degrees and strong experience in computational chemistry methods. The scientist will collaborate with multi-disciplinary teams and contribute to scientific research.

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Experience

Experience not specified

Function

Research

Work mode

Onsite, Singapore

Company

Tier 2

What you will work on

A*STAR is seeking a Computational Chemist to join the Singapore national AI in Drug Discovery program. The role involves using computational models and machine learning to design novel molecules and advance drug discovery projects. Candidates are required to have advanced degrees and strong experience in computational chemistry methods. The scientist will collaborate with multi-disciplinary teams and contribute to scientific research.

TAL's take

Quality 65/1005/5 clarityTier 2 company

Role at a prestigious national research agency involving cutting-edge AI drug discovery, though specific YOE requirements are not explicitly stated.

Very clear responsibilities focused on computational chemistry within an AI-driven drug discovery program.

Must haves

  • MSc or PhD in Computational Chemistry, Medicinal Chemistry, Bioinformatics, or related field
  • Experience with computational chemistry software in drug discovery
  • Understanding of molecular representations, QSAR, and virtual screening
  • Knowledge of drug discovery principles

Tools and skills

computational chemistry softwaremolecular representationssimilarity methodsqsarscaffold analysisvirtual screeningchemical spaces

Nice to have: deep learning, machine learning model development.

About the company

A*STAR is a prominent Singaporean government research agency, fitting the Tier 2 definition for established research institutions.

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