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Theoretical and Computational Chemistry

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multi-fidelity learning

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Theoretical and Computational Chemistry

MF-SuP-pKa: multi-fidelity modeling with subgraph pooling mechanism for pKa prediction

Jialu Wu, Yue Wan, Zhenxing Wu, Shengyu Zhang, Dongsheng Cao, Chang-Yu Hsieh, Tingjun Hou

Version 1 posted 11 July 2022

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