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protein-ligand binding affinity prediction

This paper-specific evaluation tests protein-ligand binding affinity prediction using CASF-2016.

1 evaluations · 1 metric rows

At a glance

Explanatory profile: limited source coverage · Automated source review, 2026-09-16. This does not change the review status of its results.

Data, procedure and scoring
PropertyDescription and evidence
Record typePaper-specific task; protocol incompletely extractedImproved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column
InputsCASF-2016Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column
AssessmentPearson correlationImproved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column
Recorded split or evaluation settingcore benchmarkImproved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column
DatasetsNot extracted or verified for this record.
OrganismsNot extracted or verified for this record.
AssaysNot extracted or verified for this record.
AdaptationNot extracted or verified for this record.
BaselinesNot extracted or verified for this record.

How it works

Reported evaluation outline

Outline of the existing paper extraction. Split membership, fitting details and scorer implementation remain incompletely reviewed.

Reported evaluation outlineCASF-2016. Then: Recorded fitting or scoring procedure. Then: Assess Pearson correlationCASF-2016Recorded fitting or scoringprocedureAssess Pearson correlation
Read the diagram as text
  1. CASF-2016
  2. Recorded fitting or scoring procedure
  3. Assess Pearson correlation
Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column

Evaluation context

The existing paper extraction describes: Sequence-or-structure meta-model; predicts ln(Kd/Ki) using docked and deep-learning components. This description is retained with the exact evaluation records; it is not a new protocol reconstruction.

Improved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column

Tested models and results

Release 2026-09-16-d74d282221a9 · 1 evaluation · 1 metric row. Different protocols are not a single leaderboard.

Results grouped by the exact reported evaluation
Metric and findingCoverage and uncertaintyEvidence
binding-affinity meta-model: protein-ligand binding affinity prediction

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

Author-reported evaluation · Evaluation metadata: needs review

0.777 Pearson correlation

Unit: unitless · Direction: unknown

Uncertainty: not reported in legacy extract

Scored: Not reported · Eligible: Not reported

source checkedImproved Prediction of Ligand–Protein Binding Affinities by Meta-modeling · Table 4, Meta-models row, CASF-2016 Benchmark > PCC column

Source checking is not independent reproduction.

Strengths and limitations

Profile review details

Catalogue extraction inspected; protocol claims remain limited to the cited evidence. Missing details are not presumed absent from the original paper.

Stable record: reported-task-77a32496ce8fe6

Sources and history

Release 2026-09-16-d74d282221a9 · Record review: needs review

Download this release
Technical metadata and extraction receipts

Stable ID: reported-task-77a32496ce8fe6

areas
molecular-interactions
tasks
protein-ligand binding affinity prediction
entity level
task
version
Not reported
task
protein-ligand binding affinity prediction
scope note
Paper-specific evaluation task; protocol completeness requires further extraction.
missing metadata
protocol version: not_reported_in_legacy_extract
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