Principal Scientist - Cheminformatics

About the Role

Our client is looking for an experienced Principal Scientist specializing in Cheminformatics to lead critical data analysis and modeling efforts for their research programs in Centurion . This senior position involves developing and implementing computational strategies to guide drug discovery and development, leveraging vast chemical and biological datasets. You will play a key role in building predictive models, designing virtual screening campaigns, and enhancing our understanding of structure-activity relationships.

This is a strategic leadership role for an expert in computational chemistry and data science, seeking to drive innovation within a leading research organization.

• Develop and deploy advanced cheminformatics tools and algorithms for molecular modeling, virtual screening, and data mining.
• Design and implement structure-activity relationship (SAR) and quantitative structure-activity relationship (QSAR) studies.
• Manage and curate large chemical and biological datasets, ensuring data quality and accessibility.
• Collaborate with medicinal chemists, biologists, and data scientists to define research objectives and computational strategies.
• Provide expert consultation on computational approaches to chemical library design and lead optimization.
• Mentor junior cheminformaticians and contribute to the strategic direction of the computational sciences group.

• PhD in Cheminformatics, Computational Chemistry, Computer Science, or a related quantitative field.
• Significant experience (7+ years) in applying cheminformatics techniques within the pharmaceutical or biotech industry.
• Expertise in molecular descriptor calculation, similarity searching, clustering, and machine learning methods.
• Proficiency in programming languages such as Python (with libraries like RDKit, Pandas) and SQL.
• Experience with chemical drawing and database software (e.g., Schrödinger Suite, MOE, KNIME).
• Strong understanding of organic chemistry principles and drug discovery processes.

• An exceptionally competitive salary and bonus structure.
• Comprehensive health, retirement, and life insurance benefits.
• Significant opportunities for career advancement and leadership development.
• Remote work flexibility for the right candidate.
• Access to world-class computational infrastructure and data resources.
• A highly collaborative and intellectually stimulating research environment in Centurion .