rewire.it
Paper-reported evidence

Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling

2024 · Peer-reviewed · PMC archival version PMC11632770.1

Paper-reported results. The values below come from this source, not an independent rewire.it run.

Open primary paper →DOI: 10.1021/acs.jcim.4c01116

Primary full text verified via Europe PMC fullTextXML; venue: Journal of Chemical Information and Modeling; PMC ID: PMC11632770. Mixed prediction units across Table 4 comparators; only meta-model PCC recorded.

1 verified numerical rows · source checked 2026-09-15

Paper-reportedAuthor's model

binding-affinity meta-model

protein-ligand binding affinity prediction

Reported score
0.777
Metric
Pearson correlation
Dataset / split
CASF-2016 · core benchmark

Sequence-or-structure meta-model; predicts ln(Kd/Ki) using docked and deep-learning components

Table 4, Meta-models row, CASF-2016 Benchmark > PCC columnVerify at source →