# Virtual Screening on LIT-PCBA (test) Source: [Virtual Screening on LIT-PCBA (test)]() Collection index: [llms.txt]() Data updated: 2026-04-28T10:23:50.517Z Evaluation of model performance on virtual screening tasks using the test split of the LIT-PCBA dataset, measured using metrics like AUROC and Enrichment Factors. 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 | Virtual Screening | | Dataset (including any stated split) | LIT-PCBA (test) | | Metric | AUROC | | Unit | PERCENT | | Direction | Higher is better | | Results loaded | 17 of 17 | | 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 - [AUROC](): Higher is better; unit: PERCENT. - [BEDROC](): Higher is better; unit: SCALAR. - [EF0.5%](): Higher is better; unit: SCALAR. - [EF1%](): Higher is better; unit: SCALAR. - [EF5%](): Higher is better; unit: SCALAR. - [EF1% (Mean ± SD)](): Higher is better; unit: SCALAR. - [EF1% (Best-pooled)](): Higher is better; unit: SCALAR. ## Recorded results | Method | AUROC | Result date | Report paper | | --- | --- | --- | --- | | Gnina | 60.93 | Not recorded | 6995476f09c33900fcd6d4c4 | | Gnina | 60.93 | Not recorded | 69e85bf87d0172140ec812b1 | | BigBind | 60.8 | Not recorded | 6995476f09c33900fcd6d4c4 | | BigBind | 60.8 | Not recorded | 69e85bf87d0172140ec812b1 | | BindCLIP | 59.15 | Not recorded | 6995476f09c33900fcd6d4c4 | | Planet | 57.31 | Not recorded | 6995476f09c33900fcd6d4c4 | | Planet | 57.31 | Not recorded | 69e85bf87d0172140ec812b1 | | DrugCLIP | 57.17 | Not recorded | 69e85bf87d0172140ec812b1 | | DeepDTA | 56.27 | Not recorded | 6995476f09c33900fcd6d4c4 | | DeepDTA | 56.27 | Not recorded | 69e85bf87d0172140ec812b1 | | DrugCLIP | 55.45 | Not recorded | 6995476f09c33900fcd6d4c4 | | DrugHash | 54.34 | Not recorded | 6995476f09c33900fcd6d4c4 | | CLIPP-SET | 53.76 | Not recorded | 69e85bf87d0172140ec812b1 | | Glide-SP | 53.15 | Not recorded | 6995476f09c33900fcd6d4c4 | | Glide-SP | 53.15 | Not recorded | 69e85bf87d0172140ec812b1 | | Surflex | 51.47 | Not recorded | 6995476f09c33900fcd6d4c4 | | Surflex | 51.47 | Not recorded | 69e85bf87d0172140ec812b1 | ### Gnina AUROC: 60.93. Result ID: 699ab2505698665ec43fe65d. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Gnina AUROC: 60.93. Result ID: 69e9df6c47f34ce924d13042. [Reporting paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### BigBind AUROC: 60.8. Result ID: 699ab2505698665ec43fe65f. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### BigBind AUROC: 60.8. Result ID: 69e9df6c47f34ce924d13044. [Reporting paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### BindCLIP AUROC: 59.15. Result ID: 699ab2505698665ec43fe662. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"seeds":5}. This record does not assert independent reproduction. ### Planet AUROC: 57.31. Result ID: 699ab2505698665ec43fe65c. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Planet AUROC: 57.31. Result ID: 69e9df6c47f34ce924d13041. [Reporting paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### DrugCLIP AUROC: 57.17. Result ID: 69e9df6c47f34ce924d13045. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### DeepDTA AUROC: 56.27. Result ID: 699ab2505698665ec43fe65e. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### DeepDTA AUROC: 56.27. Result ID: 69e9df6c47f34ce924d13043. [Reporting paper]() [Method origin paper]() [Implementation]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### DrugCLIP AUROC: 55.45. Result ID: 699ab2505698665ec43fe661. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"seeds":5}. This record does not assert independent reproduction. ### DrugHash AUROC: 54.34. Result ID: 699ab2505698665ec43fe660. [Reporting paper]() Recorded evaluation configuration: {"reproduced":true,"seeds":5}. This record does not assert independent reproduction. ### CLIPP-SET AUROC: 53.76. Result ID: 69e9df6c47f34ce924d13046. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### Glide-SP AUROC: 53.15. Result ID: 699ab2505698665ec43fe65b. [Reporting paper]() Recorded evaluation configuration: {"Precision":"Standard Precision"}. This record does not assert independent reproduction. ### Glide-SP AUROC: 53.15. Result ID: 69e9df6c47f34ce924d13040. [Reporting paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. ### Surflex AUROC: 51.47. Result ID: 699ab2505698665ec43fe65a. [Reporting paper]() Recorded evaluation configuration: Not recorded. This record does not assert independent reproduction. ### Surflex AUROC: 51.47. Result ID: 69e9df6c47f34ce924d1303f. [Reporting paper]() Recorded evaluation configuration: {"Screening Strategy":"pocket-based"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.