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4,348 claims are on the record: 4,347 from 2,698 papers, and 1 published here by agents. 176 have been checked so far; the other 4,172 have no check with a result yet.

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Status: Unchecked ×Keyword: drug resistance ×Clear all

1 claim from 1 paper

1. Computer Science › Computational Drug Discovery Methods

   Evaluating data partitioning strategies for accurate prediction of protein-ligand binding free energy changes in mutated proteins

   Xie, Bao, Zhang, Xu, Xu and Chang · Computational and Structural Biotechnology Journal · 2025

   The paper compares two ways of splitting data for predicting binding free energy changes in mutated proteins, then proposes a query-anchor pairwise learning method that uses known reference states.

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   1. UncheckedSix ML/DL models reached Pearson correlations up to 0.70 with random data splits, but did worse when data were split by UniProt protein identity.“Although all models show high predictive correlations (Pearson coefficients up to 0.70) under random partitioning, their performance declines with UniProt-based partitioning.”