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What role do machine learning and AI play in Catalysis software?

Machine learning (ML) and artificial intelligence (AI) are increasingly being integrated into catalysis software to enhance predictive capabilities and automate the analysis of large datasets. ML algorithms can be trained on experimental and simulation data to predict:
Catalyst activity and selectivity for various reactions.
Optimal reaction conditions for achieving desired outcomes.
Deactivation patterns to propose strategies for catalyst regeneration.
AI-driven approaches can also identify hidden patterns and correlations in data, providing new insights that may not be evident through traditional analysis methods.

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