About the role
Computational Chemist role in Singapore's AIDD program developing AI-driven drug discovery, applying computational models to design and optimize small molecules and collaborating with chemists, biologists, and data scientists.
ResearchOnsiteAI in Drug Discovery
Key Responsibilities
- Utilize computational models—including generative AI, structure‑based and ligand‑based design, property prediction, active and reinforcement learning—to drive drug discovery programs
- Collaborate closely with medical chemists, biologists, and data scientists to advance projects from concept to lead optimisation
- Work with other AIDD computational scientists to develop and improve novel design methodologies
- Present findings in internal meetings and contribute to scientific reports and publications
- Stay current with emerging computational tools, algorithms, and scientific literature relevant to therapeutics
Requirements
- MSc or PhD in Computational Chemistry, Medicinal Chemistry, Chemoinformatics, Bioinformatics, Computer Science, Machine Learning or a closely related field
- Demonstrated experience with computational chemistry software applied to drug discovery and deep understanding of molecular representations, similarity methods, QSAR, scaffold analysis, virtual screening, and chemical space concepts
- Knowledge of drug discovery principles; biotech/pharma experience is an advantage
- Familiarity with recent advances in deep learning for drug discovery and experience developing machine learning models is an advantage
- Highly motivated with ability to work independently and collaboratively
- Excellent interpersonal and communication skills