Implementation gap report

Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies

Mithun Rudrapal et al. · Scientific Reports · 2023. Citation count: 159 from OpenAlex cited_by_count, snapshot 2026-05-26.

Fingerprint Descriptor ClassificationNot publishedRepo Not startedLow extraction confidence

Specified

3

Partial

2

Missing

2

Contract files

9

Specified

Paper metadata and citation snapshot are available from OpenAlex for 2023-05-27.

The work matches the molecular property prediction support boundary used for OpenAlgo hub triage.

Template estimate: fingerprint descriptor classification.

Partial

Dataset and metric extraction still require OpenAlgo parser review before any reproduction claim.

Generated code can expose runnable scaffolding, but paper-specific hyperparameters must be confirmed by a reviewer.

Missing

No copyrighted PDF or full-paper text is stored in the hub manifest.

Official benchmark assets, split files, and random seed policy must be attached before benchmark reproduction can be claimed.

Repository

openalgo-repro-dual-synergistic-inhibition-of-cox-and-lox-by-potential-chemicals-from-indian-da

Awaiting OpenAlgo generation and GitHub publication after pilot review.

Repository status
Not started
Contract status
not_started

Repository contract

README.md
REPRODUCIBILITY_GAPS.md
requirements.txt
Dockerfile
openalgo.json
CITATION.cff
LICENSE
.github/workflows/ci.yml
src/
{
  "schemaVersion": 1,
  "generatedBy": "OpenAlgo",
  "paperId": "oa-repro-051",
  "title": "Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies",
  "doi": "10.1038/s41598-023-35161-0",
  "hubUrl": "https://openalgo.com/hub/dual-synergistic-inhibition-of-cox-and-lox-by-potential-chemicals-from-indian-da",
  "translateUrl": "https://openalgo.com/?utm_source=github&utm_medium=repro_repo&utm_campaign=repro_hub&utm_content=dual-synergistic-inhibition-of-cox-and-lox-by-potential-chemicals-from-indian-da",
  "repositoryName": "openalgo-repro-dual-synergistic-inhibition-of-cox-and-lox-by-potential-chemicals-from-indian-da",
  "repositoryDescription": "OpenAlgo-generated reproducibility scaffold and gap report for Dual synergistic inhibition of COX and LOX by potential chemicals from Indian daily spices investigated through detailed computational studies",
  "templateFamily": "fingerprint_descriptor_classification",
  "modelFamily": "classical_ml",
  "validationStatus": "not_published",
  "validationLabel": "Not published",
  "gapCounts": {
    "specified": 3,
    "partial": 2,
    "missing": 2
  },
  "citationSource": "OpenAlex cited_by_count",
  "citationSnapshotAt": "2026-05-26T00:00:00.000-07:00",
  "requiredFiles": [
    "README.md",
    "REPRODUCIBILITY_GAPS.md",
    "requirements.txt",
    "Dockerfile",
    "openalgo.json",
    "CITATION.cff",
    "LICENSE",
    ".github/workflows/ci.yml",
    "src/"
  ],
  "publicationNotice": "This repository is OpenAlgo-generated and is not an official author implementation unless explicitly stated by the paper authors.",
  "source": "https://openalgo.com"
}

Corpus decision

Accepted from the OpenAlex query snapshot after QSAR/molecular ML term filtering, then ranked by citation count.

Source queries: deep QSAR drug discovery.