Author

Qingyuan Liu

Max Planck SocietyPrimary ORCID profile (0000-0002-5384-7518 · 1 paper)Unclaimed ORCID profile · follow to get notified of new preprints

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Qingyuan LiuiD1 paper · Tsinghua University

Biology Disciplines

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Bioinformatics· 1

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Research Focus:benchmarking· 1 Research Focus:drug response / drug discovery· 1 Approach:machine learning (classical)· 1 Assay:proteomics· 1 Approach:statistical model· 1

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Mrinal Mahindran· 1 shared Olga V. KalininaiD· 1 shared Vishak Madhwaraj Kadambalithaya· 1 shared

Activity by Year

2026-2026 · peak 1/yr

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1 shared paperBioinformatics

Mrinal Mahindran

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1 paper

Recent·Most cited

Explainability methods from machine learning detect important drugs' atoms in drug-target interactions

Mrinal Mahindran, Qingyuan Liu, Vishak Madhwaraj Kadambalithaya, Olga V. Kalinina

The paper evaluates XAI methods on GNNs for DTI prediction, finding that consensus attributions highlight atoms in binding pockets relevant to drug-target interactions.

Journal of Chemical Information and Modeling · Apr 15, 2026Peer-reviewedBioinformatics