# Binding affinity prediction on CSAR-HiQ Source: [Binding affinity prediction on CSAR-HiQ]() Collection index: [llms.txt]() Data updated: 2026-04-28T07:33:24.659Z Evaluation of models on predicting the binding affinity between proteins and ligands using the CSAR-HiQ dataset. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Binding affinity prediction | | Dataset (including any stated split) | CSAR-HiQ | | Metric | RMSE | | Unit | SCALAR | | Direction | Lower is better | | Results loaded | 15 of 15 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [RMSE](): Lower is better; unit: SCALAR. - [MAE](): Lower is better; unit: SCALAR. - [SD](): Lower is better; unit: SCALAR. - [R](): Higher is better; unit: SCALAR. - [CI](): Higher is better; unit: SCALAR. ## Recorded results | Method | RMSE | Result date | Report paper | | --- | --- | --- | --- | | HBGSA | 1.603 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | SIGN | 1.618 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | SGADN | 1.619 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | MBP | 1.624 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | LightGBM | 1.725 | Not recorded | 68fa6c821e209131cea346cc | | SIGN | 1.735 | Not recorded | 68fa6c821e209131cea346cc | | CatBoost | 1.798 | Not recorded | 68fa6c821e209131cea346cc | | IGN | 1.864 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | OnionNet | 1.927 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | Pafnucy | 1.939 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | RF-Score | 1.947 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | DeepDTAF | 1.974 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | LR | 1.994 | Not recorded | 68fa6c821e209131cea346cc | | GraphDTA | 2.023 | Not recorded | 69f03f1c55a3c32af89fa0e5 | | MLP | 2.195 | Not recorded | 68fa6c821e209131cea346cc | ### HBGSA RMSE: 1.603. Result ID: 69f062bc47f34ce924d5eb2c. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Category":"Advanced Multimodal & Pre-training Methods"}. This record does not assert independent reproduction. ### SIGN RMSE: 1.618. Result ID: 69f062bc47f34ce924d5eb29. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Category":"Geometric & Graph-based Methods (GNNs)"}. This record does not assert independent reproduction. ### SGADN RMSE: 1.619. Result ID: 69f062bc47f34ce924d5eb2a. [Reporting paper]() Recorded evaluation configuration: {"Category":"Geometric & Graph-based Methods (GNNs)"}. This record does not assert independent reproduction. ### MBP RMSE: 1.624. Result ID: 69f062bc47f34ce924d5eb2b. [Reporting paper]() Recorded evaluation configuration: {"Category":"Advanced Multimodal & Pre-training Methods"}. This record does not assert independent reproduction. ### LightGBM RMSE: 1.725. Result ID: 698f1edb3a6c314849f5f96e. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### SIGN RMSE: 1.735. Result ID: 698f1edb3a6c314849f5f96c. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### CatBoost RMSE: 1.798. Result ID: 698f1edb3a6c314849f5f96d. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### IGN RMSE: 1.864. Result ID: 69f062bc47f34ce924d5eb28. [Reporting paper]() Recorded evaluation configuration: {"Category":"Geometric & Graph-based Methods (GNNs)"}. This record does not assert independent reproduction. ### OnionNet RMSE: 1.927. Result ID: 69f062bc47f34ce924d5eb27. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Category":"Structure-based Methods (CNN/Contact)"}. This record does not assert independent reproduction. ### Pafnucy RMSE: 1.939. Result ID: 69f062bc47f34ce924d5eb26. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Category":"Structure-based Methods (CNN/Contact)"}. This record does not assert independent reproduction. ### RF-Score RMSE: 1.947. Result ID: 69f062bc47f34ce924d5eb23. [Reporting paper]() Recorded evaluation configuration: {"Category":"Traditional ML & Sequence/2D-based Methods"}. This record does not assert independent reproduction. ### DeepDTAF RMSE: 1.974. Result ID: 69f062bc47f34ce924d5eb24. [Reporting paper]() Recorded evaluation configuration: {"Category":"Traditional ML & Sequence/2D-based Methods"}. This record does not assert independent reproduction. ### LR RMSE: 1.994. Result ID: 698f1edb3a6c314849f5f96a. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### GraphDTA RMSE: 2.023. Result ID: 69f062bc47f34ce924d5eb25. [Reporting paper]() Recorded evaluation configuration: {"Category":"Traditional ML & Sequence/2D-based Methods"}. This record does not assert independent reproduction. ### MLP RMSE: 2.195. Result ID: 698f1edb3a6c314849f5f96b. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.