Cheminformatics Scientist
Givaudan Fragrances
Cheminformatics Scientist Location: Onsite (Givaudan facility) Reporting To: Flavors Science & Technology Computational Sciences Lead 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. Your Professional Profile Includes 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. Compensation and Benefits The established salary range for this position is $80,000-120,000k, depending on individual qualifications and experience. Employees receive medical, dental, and vision coverage, along with a high‑matching 401(k) retirement plan. #J-18808-Ljbffr Givaudan Fragrances
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