Our Impact
Customized AI model based on chemical structure data
Partial automation of chemical structure elucidation
Simplified analytical processes with increased throughput
Mission
NMR spectroscopy (nuclear magnetic resonance spectroscopy) is a method used for analyzing molecular structures. A molecule is placed into a strong magnetic field, causing the atomic nuclei of certain elements (such as hydrogen or carbon) to respond to this magnetic field.
These responses provide insights into the chemical environment of the atoms, from which the structure of the molecule can be derived.
Our client posed the question of whether an AI model could predict the outcomes of NMR spectroscopy for certain chemical structures. This would allow structure elucidation by comparing predictions with actual measurements.
Solution
In close collaboration with the domain experts at BASF, axio concept’s data science specialists developed an AI model in just four months, capable of generating the desired predictions. The PoC created during the project will continue to be refined through our ongoing partnership.
Technologies:
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Microsoft Azure
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Microsoft Azure Machine Learning
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Keras
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Python
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rdkit
Highlights
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Training of a high-performance AI model to analyze molecular structures in .mol files
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Elastic and scalable cloud-based training using Azure Machine Learning
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Empirical comparison of multiple neural network architectures to achieve optimal results
Testimonial
The axio team impressed us with their quick comprehension and deep expertise in data science and machine learning.
Within a very short period, they grasped complex chemical contexts and developed a powerful AI model for automated structure elucidation. Their professional and focused collaboration was a key factor for the success of our project.
Dr. Tassilo Grün
Lab Team Leader NMR-Spectroscopy, BASF SE
We help chemical companies turn AI potential into real competitive advantages
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Tailor-made AI solutions for NMR spectroscopy and other chemical analyses
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Rapid implementation within a few months
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Accelerated chemical analyses and core processes
Ready to Leverage AI for Better Efficiency, Higher Quality, and Lower Costs?
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We are your partner for the strategic adoption of AI with real business impact.
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Extensive practical experience and deep industry knowledge in sectors such as automotive, manufacturing & industry, chemicals, retail, and publishing.
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Scalable integration of AI into your existing data and IT environment.
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Empowering your organization with genuine AI expertise and a legally compliant framework that builds trust.
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Let's Discuss Your Opportunities
Your Contact Person
Marco Bürckel
Managing Director
I look forward to discussing your challenges and opportunities with you. Let's discover how AI can drive your business forward.
Companies are achieving real breakthroughs with AI and digital innovations. Now is the time to unlock your company's potential.
In a free initial consultation, we will jointly analyze your challenges and explore how data-driven solutions can accelerate your success.
- 30-minute conversation
- Tailored specifically to your business
- Actionable insights for your next steps
Book your free consultation now—we look forward to speaking with you!
