Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation.
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%0 Journal Article
%1 journals/corr/abs-2209-00514
%A Xiang, Yan
%A Tang, Yu-Hang
%A Gong, Zheng
%A Liu, Hongyi
%A Wu, Liang
%A Lin, Guang
%A Sun, Huai
%D 2022
%J CoRR
%K dblp
%T Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation.
%U http://dblp.uni-trier.de/db/journals/corr/corr2209.html#abs-2209-00514
%V abs/2209.00514
@article{journals/corr/abs-2209-00514,
added-at = {2023-09-30T00:00:00.000+0200},
author = {Xiang, Yan and Tang, Yu-Hang and Gong, Zheng and Liu, Hongyi and Wu, Liang and Lin, Guang and Sun, Huai},
biburl = {https://www.bibsonomy.org/bibtex/2d39aed4f2f5879553bea79f969a31535/dblp},
ee = {https://doi.org/10.48550/arXiv.2209.00514},
interhash = {e8ea56252fdb18d99f01758767f89b2c},
intrahash = {d39aed4f2f5879553bea79f969a31535},
journal = {CoRR},
keywords = {dblp},
timestamp = {2024-04-08T22:35:08.000+0200},
title = {Efficient Chemical Space Exploration Using Active Learning Based on Marginalized Graph Kernel: an Application for Predicting the Thermodynamic Properties of Alkanes with Molecular Simulation.},
url = {http://dblp.uni-trier.de/db/journals/corr/corr2209.html#abs-2209-00514},
volume = {abs/2209.00514},
year = 2022
}
