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Wong et al. (Molecular Systems Biology, 6 September 2022) report that docking compounds against AlphaFold2-predicted structures of essential Escherichia coli proteins gave weak performance in their benchmark, and state that advances in modelling protein-ligand interactions are needed to better harness AlphaFold2 for drug discovery. Copy claim link
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Supporting evidence: primary · 1 source
Date 2022-09-06 · publication Records dated 2022 → Role Context Register (kind of text) Nonfiction Missing element A caution about present docking methods; it neither states nor disputes that predicted structures aid drug discovery, and it frames AlphaFold2 as something to be "better harnessed". Scope and limits The record documents what this text states, in its register; it is not evidence that the proposition is true and implies no influence on or from any other text. The authors' own benchmark of one docking set-up on one bacterial proteome; they report similar performance with experimentally determined structures, so the result is about docking, not about predicted structures as such.
The evidence 03 primary source Supports the claim
Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery ↗ Molecular Systems Biology (via Europe PMC full text) · 2022-09-06
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Source excerpt “We confirm extensive promiscuity, but find that the average area under the receiver operating characteristic curve (auROC) is 0.48, indicating weak model performance.” Location in source Abstract
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Machine-checked · 2026-10-30
Source details and check notes Authors Wong F; Krishnan A; Zheng EJ; Stärk H; Manson AL; Earl AM; Jaakkola T; Collins JJ Version Retrieved for the candidate pack on 2026-10-30 (SHA-256 bab05e84181322600ccd05fb1f66f3024baa9232f055cccc37ed5f7caada7727). Europe PMC full-text XML of PMC9446081, the open-access version of record deposited by the publisher. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Attribution Wong F, Krishnan A, Zheng EJ, Stärk H, Manson AL, Earl AM, Jaakkola T, Collins JJ, “Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery”, 2022-09-06. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Candidate pack passage, AI in biology (research/ai-in-biology). The quotation (23 words) matched the text retrieved for the candidate pack on 2026-10-30. Matching ignored differences of whitespace, case, quotation marks, dashes and Unicode compatibility forms, so the source’s typography can differ. The authors' reported result. No human editorial review. primary source Supports the claim
Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery ↗ Molecular Systems Biology (via Europe PMC full text) · 2022-09-06
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Source excerpt “This work indicates that advances in modeling protein‐ligand interactions, particularly using machine learning‐based approaches, are needed to better harness AlphaFold2 for drug discovery.” Location in source Abstract, last sentence
How it was read Retrieved directly from the publisher
Machine-checked · 2026-10-30
Source details and check notes Authors Wong F; Krishnan A; Zheng EJ; Stärk H; Manson AL; Earl AM; Jaakkola T; Collins JJ Version Retrieved for the candidate pack on 2026-10-30 (SHA-256 bab05e84181322600ccd05fb1f66f3024baa9232f055cccc37ed5f7caada7727). Europe PMC full-text XML of PMC9446081, the open-access version of record deposited by the publisher. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Attribution Wong F, Krishnan A, Zheng EJ, Stärk H, Manson AL, Earl AM, Jaakkola T, Collins JJ, “Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery”, 2022-09-06. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Candidate pack passage, AI in biology (research/ai-in-biology). The quotation (23 words) matched the text retrieved for the candidate pack on 2026-10-30. Matching ignored differences of whitespace, case, quotation marks, dashes and Unicode compatibility forms, so the source’s typography can differ. The authors' conclusion. No human editorial review. primary source Supports the claim
Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery ↗ Molecular Systems Biology (via Europe PMC full text) · 2022-09-06
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Source excerpt “Repeating our benchmarking with experimentally determined structures yielded similar performance (Fig 4).” Location in source Discussion
How it was read Retrieved directly from the publisher
Machine-checked · 2026-10-30
Source details and check notes Authors Wong F; Krishnan A; Zheng EJ; Stärk H; Manson AL; Earl AM; Jaakkola T; Collins JJ Version Retrieved for the candidate pack on 2026-10-30 (SHA-256 bab05e84181322600ccd05fb1f66f3024baa9232f055cccc37ed5f7caada7727). Europe PMC full-text XML of PMC9446081, the open-access version of record deposited by the publisher. Canonical address Open the canonical source ↗ Accessed 2026-10-30 Language English (en) Attribution Wong F, Krishnan A, Zheng EJ, Stärk H, Manson AL, Earl AM, Jaakkola T, Collins JJ, “Benchmarking AlphaFold-enabled molecular docking predictions for antibiotic discovery”, 2022-09-06. Reuse No open redistribution licence asserted. Bibliographic metadata, editorial paraphrases and short attributed quotations (at most 50 words each). Recheck terms before wider redistribution. Check notes Candidate pack passage, AI in biology (research/ai-in-biology). The quotation (12 words) matched the text retrieved for the candidate pack on 2026-10-30. Matching ignored differences of whitespace, case, quotation marks, dashes and Unicode compatibility forms, so the source’s typography can differ. Locates the weakness in docking rather than in the predicted structures. No human editorial review. Status and meaning Editorial status. Not reviewed by an editor . An exploratory record that no editor has accepted. This status does not say whether a person has read any linked passage. Each evidence record above shows how it was checked.
Relation. A passage of the document bears on the proposition without meeting its criterion; the record names the missing element. It is not an articulation and implies no influence.
Date. Online publication date from the JATS history of the Europe PMC full text.
Record ID aib-arg-p1-wong-2022