Medicinal Chemist, AIDD

Overview

The Artificial Intelligence (AI) in Drug Discovery (AIDD), hosted by the Singapore Agency for Science, Technology and Research (A*STAR), is Singapore’s national programme for the utilization of AI in drug discovery. A cornerstone of our programme is the AIDD LeadFactory, a central technology platform specifically designed for AI-driven medicinal chemistry. This cutting-edge facility provides the experimental and computational infrastructure to translate AI-generated insights into tangible chemical matter and accelerating lead optimization. We are seeking a highly motivated and experienced medicinal chemist to work at the forefront of experimental drug discovery. As an experienced Medicinal Chemist, you will be instrumental in the practical execution of our drug discovery projects. You will apply your deep knowledge of synthetic organic and medicinal chemistry to design and synthesize novel compounds, working closely with AI/ML experts and biologists to drive projects forward. You will play a key role in utilizing and contributing to the development of the AIDD LeadFactory's capabilities.

Key Responsibilities

• Compound design: Contribute to the design of novel small molecules based on AI-generated hypotheses, structure-activity relationship (SAR) analysis, and in silico predictions (e.g., binding poses, ADMET properties).
• Multi-step synthesis: Execute complex multi-step organic synthesis of target molecules, including route scouting, reaction optimization, purification, and characterization (NMR, MS, HPLC).
• Lead optimization: Drive lead optimization efforts through iterative design and synthesis, aiming to improve potency, selectivity, pharmacokinetics, and other key drug-like properties.
• AIDD LeadFactory utilization: Actively utilize and contribute to the development of the AIDD LeadFactory's automated synthesis and AI-driven experimental capabilities.
• Data analysis & interpretation: Analyze biological and physicochemical data, interpret SAR, and provide critical insights to guide future design efforts.
• Collaboration: Work effectively within highly interdisciplinary teams, collaborating closely with computational chemists, AI/ML scientists, biologists, and pharmacologists.
• Problem solving: Proactively identify and solve synthetic challenges and optimize chemical processes.
• Documentation & presentation: Maintain meticulous records of experimental work, prepare reports, and present findings clearly and concisely to internal and external stakeholders.

• A PhD in Medicinal Chemistry, Organic Chemistry, or a closely related field, with 3+ years of relevant postdoctoral or industry experience in drug discovery.
• Demonstrated expertise in modern synthetic organic chemistry, including a broad range of reaction types and purification techniques.
• A strong understanding of medicinal chemistry principles, including SAR, lead optimization strategies, and drug-likeness parameters.
• Proven ability to design and synthesize novel compounds to address specific biological targets and achieve desired pharmacological profiles.
• Experience with the use of standard computational tools for medicinal chemistry (e.g., ChemDraw, SciFinder, Reaxys, molecular visualization software).
• An eagerness to integrate and work with AI/ML-driven design concepts and automated experimental platforms (e.g., automated synthesis, high-throughput screening).
• Excellent problem-solving skills and a strong commitment to scientific rigor.
• Outstanding communication, interpersonal, and teamwork skills.
• Good written and verbal communication skills

• Seniority level: Mid-Senior level
• Employment type: Full-time
• Job function: Research, Analyst, and Information Technology
• Industries: Research Services