Cheminformatics Scientist
Cincinnati, OH · On-site
Required : • PhD or Master's degree in Cheminformatics, Computational Chemistry, Chemistry, or a ... tools (e.g., RDKit, OpenEye) and molecular analysis techniques such as library enumeration ...
Cheminformatics Scientist
Cincinnati, OH · On-site
Required : • PhD or Master's degree in Cheminformatics, Computational Chemistry, Chemistry, or a ... tools (e.g., RDKit, OpenEye) and molecular analysis techniques such as library enumeration ...
Enhance databases and computational pipelines to support data-driven research. * Develop ... Experience with cheminformatics tools (e.g., RDKit, OpenEye) and molecular analysis techniques such ...
Enhance databases and computational pipelines to support data-driven research. * Develop ... Experience with cheminformatics tools (e.g., RDKit, OpenEye) and molecular analysis techniques such ...
Computational Scientist Rdkit information
What are the key skills and qualifications needed to thrive as a Computational Scientist working with RDKit, and why are they important?
To thrive as a Computational Scientist using RDKit, you need a strong background in cheminformatics, computational chemistry, and programming, typically with an advanced degree in chemistry, bioinformatics, or a related field. Proficiency in Python, familiarity with RDKit libraries, and experience using molecular modeling and data analysis tools are essential. Critical thinking, problem-solving, and effective collaboration are important soft skills for translating scientific questions into computational solutions. These competencies enable accurate molecular data analysis, innovation in research, and successful teamwork in interdisciplinary environments.
How does a Computational Scientist working with RDKit typically collaborate with chemists and software engineers on research projects?
Computational Scientists specializing in RDKit often work closely with chemists to translate scientific questions into computational workflows, such as molecule property prediction or virtual screening. They also collaborate with software engineers to integrate RDKit functionalities into larger platforms or to optimize code for performance and scalability. Effective communication and project management are essential, as these interdisciplinary teams rely on regular meetings, shared documentation, and iterative feedback to ensure research goals are met efficiently. This collaborative environment not only fosters scientific innovation but also provides opportunities to learn from experts in related fields.
What is a Computational Scientist specializing in RDKit?
A Computational Scientist specializing in RDKit is a professional who uses computational methods and the RDKit cheminformatics toolkit to analyze and model chemical structures and reactions. They often work in fields like drug discovery, materials science, or chemical engineering, leveraging RDKit for tasks such as molecular fingerprinting, property prediction, virtual screening, and data visualization. Their expertise combines advanced programming skills, a strong understanding of chemistry, and the ability to develop or optimize algorithms for chemical data analysis.
What is the difference between Computational Scientist Rdkit vs Computational Chemist?
| Aspect | Computational Scientist Rdkit | Computational Chemist |
|---|---|---|
| Required Credentials | Degree in Chemistry, Bioinformatics, or related; programming skills in Python; familiarity with RDKit | Degree in Chemistry, Chemical Engineering, or related; strong background in molecular modeling and programming |
| Work Environment | Research labs, biotech companies, pharmaceutical firms; focus on software development and data analysis | Academic or industrial labs; focus on experimental design, molecular simulations, and data interpretation |
| Industry Usage | Used in cheminformatics, drug discovery, and molecular data analysis | Applied in pharmaceuticals, materials science, and chemical research |
Computational Scientist Rdkit specializes in developing and applying cheminformatics tools using RDKit, often combining programming and data analysis. Computational Chemist focuses on molecular modeling, simulations, and chemical research. While both roles require chemistry knowledge and programming skills, the Computational Scientist Rdkit role emphasizes software development and data processing, whereas the Computational Chemist emphasizes experimental and theoretical chemistry applications.
What are popular job titles related to Computational Scientist Rdkit jobs in Ohio? For Computational Scientist Rdkit jobs in Ohio, the most frequently searched job titles are:
- Computational Chemist
- Contract Pharmaceutical Scientist
- Contract Research Scientist Chemistry
- Internship Computational Chemistry Phd
- Day Scientist Computational Chemistry
- Organometallic Chemistry Phd
- Research Scientist Chemistry
- Organic Chemistry Master Degree
- Overnight Protein Purification Scientist
- Freelance Assay Development Scientist
What job categories do people searching Computational Scientist Rdkit jobs in Ohio look for? The top searched job categories for Computational Scientist Rdkit jobs in Ohio are:
What cities in Ohio are hiring for Computational Scientist Rdkit jobs? Cities in Ohio with the most Computational Scientist Rdkit job openings:
Full-time
Posted 26 days ago
Givaudan rating
8.7
Based on 28 frontline employees who took The Breakroom Quiz
12th of 89 rated chemical manufacturers
Job description
Job Summary:
Givaudan is a global leader in flavor and fragrance solutions, dedicated to enhancing human experiences through innovation. They are seeking a Cheminformatics Scientist to join their Flavors Science & Technology team, focusing on advancing flavor ingredient discovery using cheminformatics, machine learning, and AI.
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.
Qualifications:
Required:
• 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.
Company:
Givaudan develops and manufactures products across fragrance & beauty and taste & wellbeing. Founded in 1895, the company is headquartered in Vernier, CHE, with a team of 10001+ employees. The company is currently Late Stage.
Givaudan is a global leader in flavor and fragrance solutions, dedicated to enhancing human experiences through innovation. They are seeking a Cheminformatics Scientist to join their Flavors Science & Technology team, focusing on advancing flavor ingredient discovery using cheminformatics, machine learning, and AI.
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.
Qualifications:
Required:
• 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.
Company:
Givaudan develops and manufactures products across fragrance & beauty and taste & wellbeing. Founded in 1895, the company is headquartered in Vernier, CHE, with a team of 10001+ employees. The company is currently Late Stage.
About Givaudan
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