Author

Yuanxi Zhu

Shihezi University

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Biology Disciplines

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Bioinformatics· 1

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Approach:graph neural network· 1 Approach:statistical model· 1

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Bin DaiiD· 1 shared Qingkun Li· 1 shared Qiuyin ZhuiD· 1 shared Shengwen YangiD· 1 shared Yongsheng Li· 1 shared You Xu· 1 shared Zhenming LiuiD· 1 shared Zhuoyan Liu· 1 shared

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1 paper

Recent·Most cited

BioinformaticsbioRxivPreprintOct 6, 2026

Tractable and Thermodynamically Consistent pKa Prediction via First-Dissociation Aggregation

Zhuoyan Liu, Qiuyin Zhu, Qingkun Li…·Shengwen Yang

This paper introduces DTi-pKa, a graph neural network that predicts pKa values with thermodynamic consistency and achieves high accuracy on benchmark datasets.

DOI 10.64898/2026.09.30.755586

graph neural networkstatistical model

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