Ajnabiul Hoque

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Publications (6)

• DeepMech: a machine learning framework for chemical reaction mechanism prediction
  Chemical Science 2026 DOI: 10.1039/d6sc02809h
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• Machine learning models for catalytic asymmetric reactions of simple alkenes: from enantioselectivity predictions to chemical insights
  Digital Discovery 2026 DOI: 10.1039/d5dd00483g
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• Molecular Machine Learning Approach to Enantioselective C–H Bond Activation Reactions: From Generative AI to Experimental Validation
  Chemical Science 2025 DOI: 10.1039/D5SC01098E
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• ReactAIvate: A Deep Learning Approach to Predicting Reaction Mechanisms and Unmasking Reactivity Hotspots
  2024 DOI: 10.3233/FAIA240796
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• Reinforcement Learning for Improving Chemical Reaction Performance
  Journal of the American Chemical Society 2024 DOI: 10.1021/jacs.4c08866
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• Deep learning for enantioselectivity predictions in catalytic asymmetric β-C–H bond activation reactions
  Digital Discovery 2022 DOI: 10.1039/d2dd00084a
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