CatBoost-Based Framework for Intelligent Prediction and Reaction Condition Analysis of Coupling Reaction

DOI10.46793/MATCH.90-1.053WMaRDI QIDQ6167500zbMATH OpenOpenAlexFDO

Authors Hengzhe Wang, Lichao Peng, Li Chang, Yanhui Guo, Qian Li, Xiaohui Yang

Publication date 10 July 2023

Published in Match Communications in Mathematical and in Computer Chemistry (Search for Journal in Brave)

Full work available at URL https://doi.org/10.46793/match.90-1.053w

Mathematics Subject Classification ID

Classical flows, reactions, etc. in chemistry (92E20)

Recommendations

• Intelligent predicting reaction performance in multi-dimensional chemical space using quantile regression forest
• Deep forest-based intelligent yield predicting of Buchwald-Hartwig coupling reaction
• Regression prediction of coupling reaction yield based on attention-driven convolutional neural network
• Machine learning of the rate constants for the reaction between alkanes and hydrogen/oxygen atom
• Multi-objective optimization of chemical reaction conditions based on a kinetic model

Cites work

• Greedy function approximation: A gradient boosting machine.
• scientific article; zbMATH DE number 3078997 (Why is no real title available?)
• Intelligent predicting reaction performance in multi-dimensional chemical space using quantile regression forest
• Random forests

Cited in

(7)

• Machine learning of the rate constants for the reaction between alkanes and hydrogen/oxygen atom
• Regression prediction of coupling reaction yield based on attention-driven convolutional neural network
• Intelligent predicting reaction performance in multi-dimensional chemical space using quantile regression forest
• Deep forest-based intelligent yield predicting of Buchwald-Hartwig coupling reaction
• OCS-TGBM: Intelligent Analysis of Organic Chemical Synthesis Based on Topological Data Analysis and LightGBM
• ChemCNet: An Explainable Integrated Model for Intelligent Analyzing Chemistry Synthesis Reactions
• OS-MSWGBM: intelligent analysis of organic synthesis based on multiscale subtraction weighted network and lightGBM

This page was built for publication: CatBoost-Based Framework for Intelligent Prediction and Reaction Condition Analysis of Coupling Reaction

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6167500)