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

DOI10.46793/MATCH.91-1.041WMaRDI QIDQ6182459zbMATH OpenFDO

Authors Lanfeng Wang, Hengzhe Wang, Yaping Yu, Yun Chai, Xiaohui Yang

Publication date 25 January 2024

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.91-1.041W

Mathematics Subject Classification ID

Software, source code, etc. for problems pertaining to biology (92-04) Classical flows, reactions, etc. in chemistry (92E20)

Recommendations

• OS-MSWGBM: intelligent analysis of organic synthesis based on multiscale subtraction weighted network and lightGBM
• OCS-TGBM: Intelligent Analysis of Organic Chemical Synthesis Based on Topological Data Analysis and LightGBM
• 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
• CatBoost-Based Framework for Intelligent Prediction and Reaction Condition Analysis of Coupling Reaction

Cites work

• Deep forest-based intelligent yield predicting of Buchwald-Hartwig coupling reaction
• Gene selection for cancer classification using support vector machines
• Regression prediction of coupling reaction yield based on attention-driven convolutional neural network

Cited in

(3)

• OCS-TGBM: Intelligent Analysis of Organic Chemical Synthesis Based on Topological Data Analysis and LightGBM
• OS-MSWGBM: intelligent analysis of organic synthesis based on multiscale subtraction weighted network and lightGBM
• A mathematical approach to Ullmann reaction: ANFIS computing of a chemical retrial queue model under hybrid vacation

This page was built for publication: ChemCNet: An Explainable Integrated Model for Intelligent Analyzing Chemistry Synthesis Reactions

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6182459)