Cheminformatics Scientist

Responsibilities

• Design and implement cheminformatics algorithms and workflows to accelerate flavor ingredient discovery across aroma and taste modalities.
• Develop, validate, and deploy predictive models using QSAR, machine learning, artificial intelligence, and 2D/3D computational approaches for small-molecule analysis and property prediction.
• Apply statistical, cheminformatics, and machine learning methods to improve hit identification and hit-to-lead processes.
• Collaborate with chemistry and research teams to integrate AI/ML and cheminformatics into DMTA workflows.
• Enhance databases and computational pipelines to support data-driven research.
• Develop computational tools, visualizations, and analytical programs for molecular data analysis.
• Communicate scientific insights across teams and support collaboration.
• Provide mentoring and promote best practices in data integrity, reproducibility, and FAIR data principles.

Requirements

• PhD or Master's degree in Cheminformatics, Computational Chemistry, Chemistry, or a related discipline.
• Expertise in structure-based drug design (SBDD), including docking, pharmacophore modeling, virtual screening, and molecular dynamics.
• 3+ years of experience with ligand-based modeling (QSAR, 2D/3D virtual screening) and protein modeling (e.g., homology modeling, protein-protein docking).
• Data science and statistical analysis skills, including exploratory data analysis and model validation.
• Advanced programming skills in Python or R, plus proficiency in an additional language, following coding best practices.
• Experience with cheminformatics tools (e.g., RDKit, OpenEye) and molecular analysis techniques such as library enumeration, similarity analysis, clustering, and dimensionality reduction.
• Industry familiarity with SQL/databases, analytics tools (KNIME, Spotfire, Shiny), and NLP/LLMs in scientific contexts; relevant industry experience.

Qualifications

• Fluency in English.
• Strong problem-solving and analytical skills.
• Ability to work independently and as part of a team.
• Excellent communication and presentation skills.

Skills

• Cheminformatics
• Machine Learning
• Artificial Intelligence
• QSAR
• Ligand-based modeling
• Protein modeling
• Python/R programming
• SQL/databases
• Analytics tools
• NLP/LLMs

Pay

The established salary range for this position is $80,000-120,000k, depending on individual qualifications and experience.

Schedule

Onsite (Givaudan facility)

Benefits

• Medical, dental, and vision coverage
• A high-matching 401(k) retirement plan