Regression Prediction of Coupling Reaction Yield Based on Attention-Driven Convolutional Neural Network

DOI10.46793/match.89-1.199HzbMath1503.92090MaRDI QIDQ5050760

Hengzhe Wang, Yanhui Guo, Lichao Peng, Hexun Hou, Puyu Zhang, Xiao-Hui Yang

Publication date: 17 November 2022

Published in: MATCH - Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Mathematics Subject Classification ID

Artificial neural networks and deep learning (68T07) Classical flows, reactions, etc. in chemistry (92E20)

Related Items (1)

ChemCNet: An Explainable Integrated Model for Intelligent Analyzing Chemistry Synthesis Reactions

Cites Work

• Neocognition: A self-organizing neural network model for a mechanism of pattern recognition unaffected by shift in position
• Intelligent predicting reaction performance in multi-dimensional chemical space using quantile regression forest
• Deep Forest-Based Intelligent Yield Predicting of Buchwald-Hartwig Coupling Reaction

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