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Development of Reaction Prediction Scheme Based on Machine Learning with Quantum Chemical Descriptors

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Quantum Chemical Reaction Prediction Method Based on Machine Learning

Fujinami, M., Seino, J., & Nakai, H. (2020) · Bulletin of the Chemical Society of Japan · doi:10.1246/bcsj.20200017 · Cited by 24 · see citing works

Machine-learning quantum-chemical properties of molecules and chemical reactions

van Gerwen, P. (2024) · Infoscience (Ecole Polytechnique Fédérale de Lausanne) · doi:10.5075/epfl-thesis-10980

Quantum Machine Learning Applied to Chemical Reaction Space

Heinen, S. (2021) · edoc (University of Basel) · doi:10.5451/unibas-ep89359

Combining Molecular Quantum Mechanical Modeling and Machine Learning for Accelerated Reaction Screening and Discovery

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