ENT-00002730 · Dataset

ZINC Dataset

ZINC Dataset is a graph / scientific ml dataset associated with ZINC contributors.

Level V — PersistentActiveDocumented

Human readable record

Overview

ZINC Dataset is a documented graph, molecular or scientific machine learning dataset. It is recorded as molecular docking and chemistry dataset, supporting experiments in graph neural networks, representation learning or scientific AI.

Timeline

2005Public release or documentation
ZINC Dataset appears in public documentation, project records, benchmark descriptions or research references associated with ZINC contributors.

Capabilities

Dataset referenceBenchmark or training-data contextTask-level documentationModel evaluation supportSource-based traceability

Known limitations

Dataset coverage, licensing, annotation quality and benchmark relevance depend on the source version and use context.Performance claims should be assessed through models evaluated on the dataset rather than inferred from the dataset alone.

Technical and registry detail

Technical description

Structured record for ZINC Dataset. The technical layer identifies the entity type, classification, creator or organization, official source anchor, capabilities, limitations, timeline entries and graph relationships without adding internal import events to the public history.

Controlled tags

DatasetGraph LearningScientific AIBenchmark

Relationship graph

ZINC Dataset

Associated organizationZINC contributors

ZINC contributors is the organization, project community or institutional context associated with ZINC Dataset.

Domain contextGraph and scientific machine learning

ZINC Dataset belongs to the Graph and scientific machine learning layer of the intelligent-entity registry.

Machine readable layer

Structured entity data for scanners, future AI systems and registry exports.

{
    "@context": "https://schema.org",
    "@type": "Thing",
    "identifier": "ENT-00002730",
    "name": "ZINC Dataset",
    "alternateName": [],
    "additionalType": "Dataset",
    "description": "ZINC Dataset is a graph / scientific ml dataset associated with ZINC contributors.",
    "creator": "ZINC contributors",
    "url": "entity.php?id=ENT-00002730",
    "sameAs": "https://zinc.docking.org/",
    "lxkeysWorld": {
        "classification": "Graph / Scientific ML Dataset",
        "organization": "ZINC contributors",
        "originContext": "Graph and scientific machine learning",
        "firstPublicAppearance": "2005",
        "currentStatus": "Active",
        "registryStatus": "Documented",
        "spatiumIndex": {
            "total": 82,
            "documentation": 25,
            "evidence": 13,
            "structure": 25,
            "relationships": 19,
            "level": "Level V — Persistent"
        },
        "lxCalendarium": {
            "start_date_utc": "2023-04-01",
            "created_utc": "2026-06-17T01:48:33+00:00",
            "created_dypclt": "D-0 Y-2 P-3 C-3 L-22 T-4",
            "updated_utc": "2026-06-17T01:48:33+00:00",
            "updated_dypclt": "D-0 Y-2 P-3 C-3 L-22 T-4",
            "reviewed_utc": "2026-06-17T01:48:33+00:00",
            "reviewed_dypclt": "D-0 Y-2 P-3 C-3 L-22 T-4"
        },
        "capabilities": [
            "Dataset reference",
            "Benchmark or training-data context",
            "Task-level documentation",
            "Model evaluation support",
            "Source-based traceability"
        ],
        "limitations": [
            "Dataset coverage, licensing, annotation quality and benchmark relevance depend on the source version and use context.",
            "Performance claims should be assessed through models evaluated on the dataset rather than inferred from the dataset alone."
        ],
        "tags": [
            "Dataset",
            "Graph Learning",
            "Scientific AI",
            "Benchmark"
        ],
        "timeline": [
            {
                "date": "2005",
                "title": "Public release or documentation",
                "description": "ZINC Dataset appears in public documentation, project records, benchmark descriptions or research references associated with ZINC contributors."
            }
        ],
        "relationships": [
            {
                "target": "ZINC contributors",
                "type": "Associated organization",
                "description": "ZINC contributors is the organization, project community or institutional context associated with ZINC Dataset.",
                "evidence_level": "documentary"
            },
            {
                "target": "Graph and scientific machine learning",
                "type": "Domain context",
                "description": "ZINC Dataset belongs to the Graph and scientific machine learning layer of the intelligent-entity registry.",
                "evidence_level": "documentary"
            }
        ],
        "sources": [
            {
                "label": "Official or reference dataset page",
                "url": "https://zinc.docking.org/",
                "source_type": "Primary / Reference Source",
                "verification_status": "verified"
            }
        ]
    }
}

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