NP-QSAR Validation and Reporting Gap: Systematic Review Data Repository

Data and reproducibility materials accompanying the manuscript “The Validation and Reporting Gap in Natural Product QSAR and Machine Learning Studies: A Systematic Critical Review of Indexed Practices (2015–2026)”. The repository contains title/abstract screening decisions for 1,380 records; full-text eligibility assessment of 297 uncertain records; a secondary eligibility quality-control audit of 533 provisionally retained records; the final 323-record analytical corpus with 14 extraction dimensions; analysis code reproducing selected summary statistics; the PRISMA 2020 checklist; the PRISMA flow diagram; and the complete Scopus search strings. Full Scopus exports, abstracts, author identifiers, EIDs and other proprietary Scopus fields are not redistributed. Bibliographic metadata required for corpus reconstruction are limited to title, year, journal and DOI, together with researcher-generated screening and extraction data. Study selection: 1,380 records screened → 522 retained, 297 uncertain and 561 excluded at title/abstract stage → 11 of the 297 uncertain records confirmed eligible → 533 provisionally retained → 210 confirmed false positives removed during secondary eligibility quality control → 323 records retained in the analytical corpus.