AffiTox v1.0.0: Raw Docking Results and Data Release Manifest

AffiTox is a retrospective, target-resolved, multi-axis benchmark for evaluating computational binding methods on 16 toxicity-linked protein targets. This record serves as the release-level index for six component Zenodo datasets containing the raw docking and prediction outputs used in the AffiTox study. The component records collectively cover all 16 benchmark targets and are linked through the HasPart relation. The large component archives are not duplicated in this record. Analysis code, curated benchmark inputs, derived tables, and figure-generation workflows are available from the AffiTox GitHub repository:https://github.com/OlgaKoont/AffiTox The indicated license applies to the original AffiTox curation, organization, metadata, and derived results. Redistributed third-party source records, molecular structures, software, and model outputs remain subject to the applicable terms of their original sources.