Enzyme Association for Environmental Biotransformation Reactions Through Contrastive Learning of Reaction Center-Specific Fingerprints

Key Points

• This research aims to explore how enzymes are associated with biotransformation reactions using contrastive learning techniques.
• Developed reaction center-specific fingerprints for enzymes.
• Employed contrastive learning to analyze biotransformation reactions.
• Utilized supplementary datasets for comprehensive analysis.
• Identified distinct enzyme associations with specific biotransformation reactions.
• Demonstrated effectiveness of contrastive learning in categorizing reaction fingerprints.