Datasets:
Formats:
parquet
Languages:
English
Size:
10M - 100M
Tags:
biology
chemistry
drug-discovery
clinical-trials
protein-protein-interaction
gene-essentiality
License:
Add GE domain, fix creator name, improve field descriptions
Browse files- data/croissant.json +74 -22
data/croissant.json
CHANGED
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@@ -7,43 +7,64 @@
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},
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"@type": "sc:Dataset",
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"name": "NegBioDB",
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-
"description": "A large-scale database of experimentally confirmed negative results across
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| 11 |
"license": "https://creativecommons.org/licenses/by-sa/4.0/",
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| 12 |
"url": "https://github.com/jang1563/NegBioDB",
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| 13 |
"version": "1.0.0",
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| 14 |
"datePublished": "2026",
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| 15 |
"creator": {
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"@type": "sc:Person",
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-
"name": "
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},
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"distribution": [
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{
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"@type": "cr:FileObject",
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"name": "dti_pairs",
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"contentUrl": "negbiodb_dti_pairs.parquet",
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"encodingFormat": "application/x-parquet",
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-
"description": "All negative DTI pairs with source, tier, and activity data"
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},
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{
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"@type": "cr:FileObject",
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"name": "dti_m1_balanced",
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"contentUrl": "negbiodb_m1_balanced.parquet",
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"encodingFormat": "application/x-parquet",
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-
"description": "DTI M1 balanced benchmark dataset (1:1 positive:negative)"
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},
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{
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"@type": "cr:FileObject",
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"name": "ct_pairs",
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| 37 |
"contentUrl": "ct/negbiodb_ct_pairs.parquet",
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| 38 |
"encodingFormat": "application/x-parquet",
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| 39 |
-
"description": "All clinical trial failure pairs"
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| 40 |
},
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{
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"@type": "cr:FileObject",
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"name": "ppi_pairs",
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| 44 |
"contentUrl": "ppi/negbiodb_ppi_pairs.parquet",
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| 45 |
"encodingFormat": "application/x-parquet",
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| 46 |
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"description": "All negative PPI pairs"
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},
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{
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"@type": "cr:FileObject",
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@@ -70,37 +91,37 @@
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"@type": "cr:Field",
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"name": "inchikey_connectivity",
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"dataType": "sc:Text",
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| 73 |
-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "uniprot_id",
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"dataType": "sc:Text",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "activity_type",
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"dataType": "sc:Text",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "pchembl_value",
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"dataType": "sc:Float",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "source",
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"dataType": "sc:Text",
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"description": "source"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "tier"
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}
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]
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},
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@@ -113,31 +134,31 @@
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"@type": "cr:Field",
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"name": "nct_id",
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"dataType": "sc:Text",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "intervention_name",
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"dataType": "sc:Text",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "failure_category",
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"dataType": "sc:Text",
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-
"description": "failure
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "tier"
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},
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{
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"@type": "cr:Field",
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"name": "highest_phase_reached",
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"dataType": "sc:Text",
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"description": "
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}
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]
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},
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@@ -150,27 +171,58 @@
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"@type": "cr:Field",
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"name": "protein_a",
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"dataType": "sc:Text",
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"description": "
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},
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{
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"@type": "cr:Field",
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"name": "protein_b",
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"dataType": "sc:Text",
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-
"description": "
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},
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{
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"@type": "cr:Field",
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"name": "source",
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"dataType": "sc:Text",
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-
"description": "source"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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-
"description": "tier"
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}
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]
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}
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]
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-
}
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},
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"@type": "sc:Dataset",
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"name": "NegBioDB",
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"description": "A large-scale database of experimentally confirmed negative results across four biomedical domains (DTI, Clinical Trials, PPI, Gene Essentiality), with dual ML/LLM benchmarks.",
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"license": "https://creativecommons.org/licenses/by-sa/4.0/",
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"url": "https://github.com/jang1563/NegBioDB",
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"version": "1.0.0",
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"datePublished": "2026",
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"creator": {
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"@type": "sc:Person",
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"name": "JangKeun Kim",
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"affiliation": {
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"@type": "sc:Organization",
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"name": "Weill Cornell Medicine"
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}
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},
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"keywords": [
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"negative results",
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"publication bias",
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"drug-target interaction",
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"clinical trials",
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"protein-protein interaction",
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"gene essentiality",
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"benchmark",
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"biomedical AI"
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],
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"distribution": [
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{
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"@type": "cr:FileObject",
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"name": "dti_pairs",
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"contentUrl": "negbiodb_dti_pairs.parquet",
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"encodingFormat": "application/x-parquet",
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"description": "All negative DTI pairs with source, tier, and activity data (30.5M rows)"
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},
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{
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"@type": "cr:FileObject",
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"name": "dti_m1_balanced",
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"contentUrl": "negbiodb_m1_balanced.parquet",
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"encodingFormat": "application/x-parquet",
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"description": "DTI M1 balanced benchmark dataset (1:1 positive:negative, 1.73M rows)"
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},
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{
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"@type": "cr:FileObject",
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"name": "ct_pairs",
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"contentUrl": "ct/negbiodb_ct_pairs.parquet",
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"encodingFormat": "application/x-parquet",
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"description": "All clinical trial failure pairs (102,850 rows)"
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},
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{
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"@type": "cr:FileObject",
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"name": "ppi_pairs",
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"contentUrl": "ppi/negbiodb_ppi_pairs.parquet",
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"encodingFormat": "application/x-parquet",
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"description": "All negative PPI pairs (2.2M rows)"
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},
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{
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"@type": "cr:FileObject",
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"name": "ge_pairs",
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"contentUrl": "ge/negbiodb_ge_pairs.parquet",
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"encodingFormat": "application/x-parquet",
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"description": "All gene essentiality pairs (22.5M gene-cell-line pairs)"
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},
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{
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"@type": "cr:FileObject",
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"@type": "cr:Field",
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"name": "inchikey_connectivity",
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"dataType": "sc:Text",
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"description": "InChIKey connectivity layer (first 14 characters)"
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},
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{
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"@type": "cr:Field",
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"name": "uniprot_id",
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"dataType": "sc:Text",
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"description": "UniProt accession of the protein target"
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},
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{
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"@type": "cr:Field",
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"name": "activity_type",
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"dataType": "sc:Text",
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"description": "Activity measurement type (IC50, Ki, Kd, EC50)"
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},
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{
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"@type": "cr:Field",
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"name": "pchembl_value",
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"dataType": "sc:Float",
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"description": "pChEMBL value (-log10 of activity in M)"
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},
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{
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"@type": "cr:Field",
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"name": "source",
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"dataType": "sc:Text",
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"description": "Data source (ChEMBL, PubChem, BindingDB, DAVIS)"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "Confidence tier (gold, silver, bronze)"
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}
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]
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},
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"@type": "cr:Field",
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"name": "nct_id",
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"dataType": "sc:Text",
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"description": "ClinicalTrials.gov NCT identifier"
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},
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{
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"@type": "cr:Field",
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"name": "intervention_name",
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"dataType": "sc:Text",
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"description": "Name of the drug or intervention"
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},
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{
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"@type": "cr:Field",
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"name": "failure_category",
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"dataType": "sc:Text",
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"description": "Category of trial failure (safety, efficacy, enrollment, etc.)"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "Confidence tier (gold, silver, bronze, copper)"
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},
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{
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"@type": "cr:Field",
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"name": "highest_phase_reached",
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"dataType": "sc:Text",
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"description": "Highest clinical phase reached before failure"
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}
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]
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},
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"@type": "cr:Field",
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"name": "protein_a",
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"dataType": "sc:Text",
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"description": "UniProt accession of first protein"
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},
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{
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"@type": "cr:Field",
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"name": "protein_b",
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"dataType": "sc:Text",
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"description": "UniProt accession of second protein"
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},
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{
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"@type": "cr:Field",
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"name": "source",
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"dataType": "sc:Text",
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"description": "Data source (IntAct, HuRI, hu.MAP, STRING)"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "Confidence tier (gold, silver, bronze)"
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}
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]
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},
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{
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"@type": "cr:RecordSet",
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"name": "ge_pairs_record",
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"source": "ge_pairs",
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"field": [
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{
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"@type": "cr:Field",
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"name": "gene_symbol",
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"dataType": "sc:Text",
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"description": "HUGO gene symbol"
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},
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{
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"@type": "cr:Field",
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"name": "cell_line",
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"dataType": "sc:Text",
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"description": "DepMap cell line identifier"
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},
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{
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"@type": "cr:Field",
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"name": "source",
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"dataType": "sc:Text",
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"description": "Data source (CRISPR Chronos, RNAi DEMETER2)"
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},
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{
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"@type": "cr:Field",
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"name": "tier",
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"dataType": "sc:Text",
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"description": "Confidence tier (gold, silver, bronze)"
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}
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]
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}
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]
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}
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