Computational Chemist

A*STAR - Agency for Science, Technology and Research • singapore, singapore, Singapore • Posted June 18, 2026

Location singapore, singapore
Job Type Full-time
Category Other-General
Posted June 18, 2026
Role & Responsibilities

The Singapore national program for the utilisation of artificial intelligence (AI) in Drug Discovery (AIDD), funded by the Singapore National Research Foundation (NRF) and hosted by the Singapore Agency for Science, Technology and Research (A*STAR), is seeking a talented and motivated Computational Chemist to join our innovative drug discovery team. AIDD is developing machine learning models and algorithms to identify novel drug targets and design small molecules to modulate them. The Computational Chemist will translate AI-generated insights into tangible chemical matter, enabling rapid iteration and validation in the drug discovery pipeline.

Key Responsibilities
  • Utilize computational models to drive drug discovery programs, spanning generative AI, structure- and ligand-based design approaches, property prediction, active and reinforcement learning, all in the context of multi-parameter optimization.
  • Collaborate closel...

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