| { |
| "dataset": { |
| "id": "opera_data", |
| "title": "OPERA experimental training and validation data", |
| "description": "Original OPERA endpoint collections for environmental fate, physicochemical properties, ADME, and toxicity. Source SDF files retain experimental endpoints, descriptors, and original partition fields.", |
| "domain": "small_molecules", |
| "category": "physicochemical", |
| "application": "physicochemical/environmental_fate", |
| "evidence_tier": "Q2_established", |
| "status": "downloaded", |
| "label_origin": "experiment", |
| "tags": [ |
| "experiment", |
| "regulatory", |
| "physicochemical", |
| "environmental_fate" |
| ], |
| "license": "not_verified", |
| "license_class": "unverified", |
| "source_url": "https://github.com/kmansouri/OPERA", |
| "aliases": [], |
| "references": [ |
| { |
| "title": "OPERA experimental training and validation data publication", |
| "url": "https://doi.org/10.1186/s13321-018-0263-1" |
| } |
| ], |
| "known_issues": [ |
| "Experimental labels and model predictions appear together in some source files; select the observed endpoint columns for supervised experimental-property tasks.", |
| "Each endpoint includes source units and train/test membership. Structure standardization varies across historical releases." |
| ], |
| "units": null, |
| "task_definitions": [], |
| "components": [] |
| }, |
| "links": { |
| "studies": [ |
| { |
| "title": "OPERA experimental training and validation data publication", |
| "url": "https://doi.org/10.1186/s13321-018-0263-1" |
| } |
| ], |
| "original_data": "https://github.com/kmansouri/OPERA", |
| "redistributor": null, |
| "built_on": { |
| "name": "US EPA curated data (PHYSPROP and others)", |
| "url": "https://github.com/kmansouri/OPERA" |
| }, |
| "source_files": [ |
| { |
| "name": "OPERA_Data.zip", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/OPERA_Data.zip" |
| }, |
| { |
| "name": "README.md", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/README.md" |
| }, |
| { |
| "name": "LICENSE", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/LICENSE" |
| } |
| ] |
| }, |
| "modalities": [ |
| { |
| "kind": "file", |
| "modality": "source files", |
| "path": "files/OPERA_Data.zip", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/OPERA_Data.zip", |
| "description": "Original source file in its native format.", |
| "bytes": 78722022 |
| }, |
| { |
| "kind": "file", |
| "modality": "source files", |
| "path": "files/README.md", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/README.md", |
| "description": "Original source file in its native format.", |
| "bytes": 4085 |
| }, |
| { |
| "kind": "file", |
| "modality": "source files", |
| "path": "files/LICENSE", |
| "url": "https://raw.githubusercontent.com/kmansouri/OPERA/01b07c769dd86eadb71843e057783a64a364c885/LICENSE", |
| "description": "Original source file in its native format.", |
| "bytes": 1066 |
| } |
| ], |
| "quality": { |
| "grade": "unmeasured", |
| "tags": [ |
| { |
| "key": "origin", |
| "level": "info", |
| "label": "experiment", |
| "detail": "Labels are measured in a lab." |
| } |
| ] |
| }, |
| "tables": [] |
| } |
|
|
