Typed states for the displayed outbound observations.
Source: paper_references, paper_reference_links, observed 2026-08-06T12:53:27.975430Z
Paper Citation Record · LEDGER
Data Leakage and Redundancy in the LIT-PCBA Benchmark
As of 23 August 2026, this Paper Citation Record lists 32 of 32 outbound references and 2 inbound Pith citation observations for arXiv:2507.21404.
A citation records a reference. It does not transfer a finding from one paper to another.
Coverage vector
One-hop event checks from named stored sources.
Source: scholarly_work_events, retraction_status_cache, observed 2026-08-23T06:30:58.430688+00:00
Pith citing papers itemized under the disclosed page cap.
Source: paper_references, paper_reference_links, observed 2026-05-10T16:06:25.893394Z
A source-named dated measurement, never combined with another source.
Source: arxiv_reference, observed 2026-08-05T02:28:24.338817Z
Reference resolution
32 of 32 outbound references displayed
- verified exact0
- verified fuzzy28
- unresolved4
- parse uncertain0
- malformed identifier0
- metadata mismatch0
External citation measurements
2
arxiv_reference, observed 2026-08-05T02:28:24.338817Z
Outbound references
Observation eedec986-f55b-46e9-abe5-761d80c75bc2 · outbound
This paper cites Benchmarking data sets for the evaluation of virtual ligand screening methods: review and perspectives.Journal of chemical information and modeling, 55(7):1297–1307, 2015.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Benchmarking data sets for the evaluation of virtual ligand screening methods: review and perspectives.Journal of chemical information and modeling, 55(7):1297–1307, 2015
Reference 1
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:34.910024Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 37c712f1-0909-43d2-918b-df9e3745e696 · outbound
This paper cites Benchmarking methods and data sets for ligand enrichment assessment in virtual screening.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Benchmarking methods and data sets for ligand enrichment assessment in virtual screening
Reference 2
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:34.761035Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 89ff84a6-ac38-483f-8c4c-7feb3680ddc4 · outbound
This paper cites Community benchmarks for virtual screening.Journal of computer-aided molecular design, 22(3):193–199, 2008.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Community benchmarks for virtual screening.Journal of computer-aided molecular design, 22(3):193–199, 2008
Reference 3
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:34.620340Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 9f915b14-8f48-4e48-9d51-35de6677d95d · outbound
This paper cites Lit-pcba: an unbiased data set for machine learning and virtual screening.Journal of chemical information and modeling, 60(9):4263–4273, 2020.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Lit-pcba: an unbiased data set for machine learning and virtual screening.Journal of chemical information and modeling, 60(9):4263–4273, 2020
Reference 4
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:34.351089Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation cb75be63-4cf3-4234-9ea6-6290170c08e5 · outbound
This paper cites Hidden bias in the dud-e dataset leads to misleading performance of deep learning in structure-based virtual screening.PloS one, 14(8):e0220113, 2019.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Hidden bias in the dud-e dataset leads to misleading performance of deep learning in structure-based virtual screening.PloS one, 14(8):e0220113, 2019
Reference 5
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:34.072976Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 058863b1-a346-4162-8d70-bd1aabb56545 · outbound
This paper cites Directory of useful decoys, enhanced (dud-e): better ligands and decoys for better benchmarking.Journal of medicinal chemistry, 55(14):6582–6594, 2012.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Directory of useful decoys, enhanced (dud-e): better ligands and decoys for better benchmarking.Journal of medicinal chemistry, 55(14):6582–6594, 2012
Reference 6
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:33.785270Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 92081f4f-027f-42c8-97b3-428a7cc00c35 · outbound
This paper cites Maximum unbiased validation (muv) data sets for virtual screening based on pubchem bioactivity data.Journal of chemical information and modeling, 49(2):169–184, 2009.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Maximum unbiased validation (muv) data sets for virtual screening based on pubchem bioactivity data.Journal of chemical information and modeling, 49(2):169–184, 2009
Reference 7
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:33.522107Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 92ed2280-8d96-4ad1-a042-c66a16121867 · outbound
This paper cites Recognizing pitfalls in virtual screening: a critical review.Journal of chemical information and modeling, 52(4):867–881, 2012.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Recognizing pitfalls in virtual screening: a critical review.Journal of chemical information and modeling, 52(4):867–881, 2012
Reference 8
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:33.275091Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation bfa17ae2-2754-4c8a-963d-7300604d0c60 · outbound
This paper cites Recent progress on the prospective application of machine learning to structure-based virtual screening.Current opinion in chemical biology, 65:28–34, 2021.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Recent progress on the prospective application of machine learning to structure-based virtual screening.Current opinion in chemical biology, 65:28–34, 2021
Reference 9
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:33.035387Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation e042eb45-4448-4c9a-b812-0acf4390c45a · outbound
This paper cites Deep learning in virtual screening: recent applications and developments.International journal of molecular sciences, 22(9):4435, 2021.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Deep learning in virtual screening: recent applications and developments.International journal of molecular sciences, 22(9):4435, 2021
Reference 10
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:32.796145Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 2d788731-1c21-44a3-946b-31bfa61dde1f · outbound
This paper cites Artificial intelligence in virtual screening: Models versus experiments.Drug Discovery Today, 27(7):1913– 1923, 2022.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Artificial intelligence in virtual screening: Models versus experiments.Drug Discovery Today, 27(7):1913– 1923, 2022
Reference 11
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:32.539300Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 17f97907-f87a-460f-ba45-8d25992d9864 · outbound
This paper cites Recent advances in ai- driven protein-ligand interaction predictions.Current Opinion in Structural Biology, 92:103020, 2025.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Recent advances in ai- driven protein-ligand interaction predictions.Current Opinion in Structural Biology, 92:103020, 2025
Reference 12
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:32.363792Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 891332f5-47e6-41c1-8df1-f6279a3d2a06 · outbound
This paper cites Recent developments in ultralarge and structure-based virtual screening approaches.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Recent developments in ultralarge and structure-based virtual screening approaches
Reference 13
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:32.024139Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation a415ba0d-64e8-4800-aebc-9472e4d25e56 · outbound
This paper cites Scaling structure aware virtual screening to billions of molecules with sprint.ArXiv, pages arXiv–2411, 2025.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Scaling structure aware virtual screening to billions of molecules with sprint.ArXiv, pages arXiv–2411, 2025
Reference 14
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:31.791890Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 4f495487-c91e-4a90-8eb4-8d2c36e231a6 · outbound
This paper cites Drugclip: Contrastive protein-molecule representation learning for virtual screening.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Drugclip: Contrastive protein-molecule representation learning for virtual screening
Reference 15
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:31.529333Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation fd13aaeb-ccee-4fd4-b8e0-60e03f569bf6 · outbound
This paper cites an unresolved cited work.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Unresolved cited work
Reference 16
- Resolution
- unresolved
- raw_fallback, observed 2026-08-06T12:53:31.269523Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 01b92202-a226-4895-9d27-a1c09cea70d3 · outbound
This paper cites Cheese: 3d shape and electrostatic virtual screening in a vector space.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Cheese: 3d shape and electrostatic virtual screening in a vector space
Reference 17
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:30.934891Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 4f469fb8-d087-46a6-9eea-16ffac6abdee · outbound
This paper cites Milcdock: machine learning enhanced consensus docking for virtual screening in drug discovery.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Milcdock: machine learning enhanced consensus docking for virtual screening in drug discovery
Reference 18
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:30.652389Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation b0d6d9ca-d575-43d1-9241-b4d0e3ed81f2 · outbound
This paper cites an unresolved cited work.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Unresolved cited work
Reference 19
- Resolution
- unresolved
- raw_fallback, observed 2026-08-06T12:53:30.401174Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 576b31c0-2399-4600-89b7-026ddb61a225 · outbound
This paper cites Improved deepdta for protein–ligand binding affinity prediction with transformer and contrastive learning.Bioinformatics, 40(1):btad683, 2024.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Improved deepdta for protein–ligand binding affinity prediction with transformer and contrastive learning.Bioinformatics, 40(1):btad683, 2024
Reference 20
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:30.108948Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation edca2f7f-e30b-4b34-8374-c05e87dd3362 · outbound
This paper cites an unresolved cited work.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Unresolved cited work
Reference 21
- Resolution
- unresolved
- raw_fallback, observed 2026-08-06T12:53:29.938338Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 7d0bf659-6cac-4db0-9f5d-879ba2f05e80 · outbound
This paper cites Latent biases in machine learning models for predicting binding affinities using popular data sets.ACS omega, 8(2):2389–2397, 2023.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Latent biases in machine learning models for predicting binding affinities using popular data sets.ACS omega, 8(2):2389–2397, 2023
Reference 22
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:29.749255Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 2a8dc787-1966-4e28-9ffe-367971959b96 · outbound
This paper cites Virtual screening: an endless staircase?Nature Reviews Drug Discovery, 9(4):273–276, 2010.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Virtual screening: an endless staircase?Nature Reviews Drug Discovery, 9(4):273–276, 2010
Reference 23
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:29.589669Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation d80b2e80-b203-4d9c-ab15-b3f0272566b9 · outbound
This paper cites Property-unmatched decoys in docking benchmarks.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Property-unmatched decoys in docking benchmarks
Reference 24
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:29.437111Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 2126bde5-886d-440a-b30e-0ada4cd8a89e · outbound
This paper cites Most ligand-based classification benchmarks reward memorization rather than generalization.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Most ligand-based classification benchmarks reward memorization rather than generalization
Reference 25
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:29.238677Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation d3100bd1-a74b-4ae7-9adc-9a5100567947 · outbound
This paper cites A comprehensive comparative assessment of 3d molecular similarity tools in ligand-based virtual screening.Briefings in bioinformatics, 22(6), 2021.
Data Leakage and Redundancy in the LIT-PCBA Benchmark A comprehensive comparative assessment of 3d molecular similarity tools in ligand-based virtual screening.Briefings in bioinformatics, 22(6), 2021
Reference 26
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:29.091366Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 9f610136-48f7-4c44-b099-87218bbefafb · outbound
This paper cites Conformational space profiling enhances generic molecular representation for ai-powered ligand-based drug discovery.Advanced Science, 11(40):2403998, 2024.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Conformational space profiling enhances generic molecular representation for ai-powered ligand-based drug discovery.Advanced Science, 11(40):2403998, 2024
Reference 27
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:28.929818Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 91aae499-cf3f-4a76-a0bb-dc39efccca9a · outbound
This paper cites Protein–ligand docking in the machine- learning era.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Protein–ligand docking in the machine- learning era
Reference 28
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:28.747934Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 5bf340cc-f54d-48f1-a7c4-f21dda3578d2 · outbound
This paper cites Delta machine learning to improve scoring-ranking-screening performances of protein–ligand scoring functions.Journal of chemical information and modeling, 62(11):2696–2712, 2022.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Delta machine learning to improve scoring-ranking-screening performances of protein–ligand scoring functions.Journal of chemical information and modeling, 62(11):2696–2712, 2022
Reference 29
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:28.587968Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 39eee611-ecbb-429e-a7c3-5d96a32870ed · outbound
This paper cites Rdkit: Open-source cheminformatics.https://www.rdkit.org.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Rdkit: Open-source cheminformatics.https://www.rdkit.org
Reference 30
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:28.451493Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation 690acef7-0864-4c74-9f71-8b454badc83e · outbound
This paper cites Alphafold2 structures guide prospective ligand discovery.Science, 384(6702):eadn6354, 2024.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Alphafold2 structures guide prospective ligand discovery.Science, 384(6702):eadn6354, 2024
Reference 31
- Resolution
- verified fuzzy
- raw_fallback, observed 2026-08-06T12:53:28.292834Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation a9e82388-467f-497a-b1fd-9f2805fd32dc · outbound
This paper cites an unresolved cited work.
Data Leakage and Redundancy in the LIT-PCBA Benchmark Unresolved cited work
Reference 32
- Resolution
- unresolved
- raw_fallback, observed 2026-08-06T12:53:28.137265Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Pith citing papers
Observation b8889f37-ee38-455e-ad52-891548662e21 · inbound
Benchmarking Single-Pose Docking, Consensus Rescoring, and Supervised ML on the LIT-PCBA Library: A Critical Evaluation of DiffDock, AutoDock-GPU, GNINA, and DiffDock-NMDN cites this paper.
Benchmarking Single-Pose Docking, Consensus Rescoring, and Supervised ML on the LIT-PCBA Library: A Critical Evaluation of DiffDock, AutoDock-GPU, GNINA, and DiffDock-NMDN Data Leakage and Redundancy in the LIT-PCBA Benchmark
Reference 8
- Resolution
- verified exact
- arxiv_id, observed 2026-05-11T09:20:59.672994Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.
Observation fc84a720-6e36-4d38-9b13-f8dbda552523 · inbound
Benchmarking open-source tools for in silico antiviral drug discovery cites this paper.
Benchmarking open-source tools for in silico antiviral drug discovery Data Leakage and Redundancy in the LIT-PCBA Benchmark
Reference 68
- Resolution
- verified exact
- arxiv_id, observed 2026-05-08T17:13:38.197247Z
Source-reported events for the cited work
No event found in the named queried sources as of 2026-08-23T06:30:58.430688+00:00.