TocoDecoy
Generates property-matched decoy molecules for virtual-screening benchmarks with a conditional recurrent neural network instead of selecting them from an existing compound library.
No reviewed evaluations are linked here in this release. See the sources below.
Overview
An explanatory profile has not yet been reviewed for this record.
Consult the linked sources for architecture or protocol details. Missing evidence is not evidence of a missing capability.
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How it works, versions and access
Strengths, limitations and unresolved questions
Evidence
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Evidence table
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Sources and history
Release 2026-10-22-1b7cf027e4f6 · Record review: discovered
1 source record and release history
- Shen et al. 2025, Chemical Science (Europe PMC full text) · Original source · PMC12704515 (Chem Sci, published 2025-12-11)
Technical metadata and extraction receipts
Stable ID: hitdisc-20261022-method-tocodecoy
- areas
- molecular-interactions
- contexts
- research
- method types
- supervised_machine_learning
- entity level
- method
- reported name
- TocoDecoy
- access
- No access terms are stated in the retrieved source
- source locator
- Methods 'Datasets'
- provenance note
- Created from the description in Shen et al. 2025, which used a streamlined implementation of it. The TocoDecoy primary paper (doi 10.1021/acs.jmedchem.2c00460) is closed access and was not retrieved.
- missing metadata
- version: reason: unreported; note: Shen et al. 2025 describe a 'streamlined implementation' without a version
- review
- method: scope-review; automated-source-review; reviewer: claude; reviewer note: Claude review agent, independent of the extraction agent; no human review claimed; date: 2026-10-22; method note: Read the record against the pinned sources and against docs/use-cases.md and docs/record-contract.md.; note: Record checked against the pinned source and the record contract. Transcription checked; not reproduced and not reviewed by a human scientist.; artifact sha256: 11a4cee97057d9e72f9393024d22fdd169e3134f493367eee2f7869facf9ccf8; retrieval url: https://www.ebi.ac.uk/europepmc/webservices/rest/PMC12704515/fullTextXML; receipt: data/omics/use-case-coverage-hitdisc-20261022/review.json