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 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 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.
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.
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 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:
- Senior Computational Biologist
- Internship Computational Chemistry Phd
- Peptide Medicinal Chemistry
- Senior Scientist
- Overnight Next Generation Sequencing Scientist
- Ligand Binding Assay
- Computational Chemistry Molecular Modeling
- Research Scientist Chemistry
- Trainee Computational Chemistry Phd
- Computational Chemist
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:
$80K/yr
Other
Medical, Dental, Vision, Retirement
Posted 26 days ago
Key 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.
Collaborate with chemistry and research teams to integrate AI/ML and cheminformatics into DMTA workflows.
Givaudan rating
8.9
Based on 32 frontline employees who took The Breakroom Quiz
5th of 91 rated chemical manufacturers
Job description
Join us and celebrate the beauty of human experience. Create for happier, healthier lives, with love for nature. Together, with our customers, we deliver food innovations, craft inspired fragrances and develop beauty and wellbeing solutions. There's much to learn and many to learn from, with more than 16,000 employees around the world to explore ideas and ambitions with.
In the USA, we develop, market and produce a wide array of solutions from our 25 most innovative sites, based across the country. Stretch your skills, create and get inspiration from passionate colleagues. Every day, your energy, your thirst for knowledge, and your creativity will shape our future, making a positive difference on billions of people. Every essence of you enriches our world. We are Givaudan. Human by nature.
Givaudan Flavors Science & Technology is looking for a Cheminformatics Scientist to join a versatile team advancing flavor ingredient discovery. You will apply cheminformatics, machine learning, and AI to develop novel aroma and taste molecules while collaborating across research teams to build data-driven discovery workflows.
Your Title Cheminformatics Scientist
Your Location Onsite (Givaudan facility)
You Will Report 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.
#LI-Onsite
At Givaudan, you contribute to delightful taste and scent experiences that touch people's lives.
You work within an inspiring teamwork culture - where you can thrive, collaborate and learn from other talented and passionate people across disciplines, regions and divisions.
Every essence of you enriches our world.
Diversity of perspectives fuels innovation and fosters deeper connections with our employees, customers, and partners. At Givaudan, we are dedicated to cultivating an inclusive environment where every individual's voice is valued and has the power to shape our world. Join us in making a difference together.
About Givaudan
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