rewire.it
Paper-reported evidence

Machine-Learning- and Knowledge-Based Scoring Functions Incorporating Ligand and Protein Fingerprints

2022 · Peer-reviewed · PMC archival version PMC9178954.1

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

Open primary paper →DOI: 10.1021/acsomega.2c02822

Primary full text verified using Europe PMC XML; venue: ACS Omega; PMC ID: PMC9178954.

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

Paper-reportedAuthor's model

PMF (LASSO)

Protein–ligand binding energy prediction

Reported score
0.67
Metric
Pearson R
Dataset / split
Fingerprint-scoring benchmark

PMF-only LASSO baseline evaluated by the same authors.

Table 1, PMF / LASSO row, R columnVerify at source →
Paper-reportedAuthor's model

PMF + ECFP + PF (LightGBM)

Protein–ligand binding energy prediction

Reported score
0.79
Metric
Pearson R
Dataset / split
Fingerprint-scoring benchmark

Binding-energy model using ligand and protein fingerprints with LightGBM.

Table 1, PMF + ECFP + PF / LightGBM row, R columnVerify at source →