Spaces:
Running
Running
Open the cell-morphology board built from JUMP Cell Painting
Browse filesStructure-only prediction of how a compound changes cell shape, summarised to sixteen axes. Scored by per-compound profile correlation, with the metric uncertainty published as the threshold below which differences are not treated as rank.
- board_meta.json +89 -29
- categories.json +3 -1
- data/phenotype_card.json +49 -0
- data/phenotype_test.json +0 -0
board_meta.json
CHANGED
|
@@ -1,29 +1,89 @@
|
|
| 1 |
-
{
|
| 2 |
-
"note": "λΆλ¬Έ μ΄λ¦λ§μΌλ‘λ 무μμ μ¬λμ§ μ μ μλ€. νμ κΈ°νΈλ μ΄ λΆμΌ μ¬λμκ²λ§ μ½νλ€.",
|
| 3 |
-
"boards": {
|
| 4 |
-
"hERG":
|
| 5 |
-
|
| 6 |
-
|
| 7 |
-
|
| 8 |
-
|
| 9 |
-
|
| 10 |
-
|
| 11 |
-
|
| 12 |
-
|
| 13 |
-
|
| 14 |
-
|
| 15 |
-
|
| 16 |
-
"
|
| 17 |
-
|
| 18 |
-
|
| 19 |
-
|
| 20 |
-
"
|
| 21 |
-
|
| 22 |
-
|
| 23 |
-
|
| 24 |
-
|
| 25 |
-
|
| 26 |
-
|
| 27 |
-
|
| 28 |
-
|
| 29 |
-
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"note": "λΆλ¬Έ μ΄λ¦λ§μΌλ‘λ 무μμ μ¬λμ§ μ μ μλ€. νμ κΈ°νΈλ μ΄ λΆμΌ μ¬λμκ²λ§ μ½νλ€.",
|
| 3 |
+
"boards": {
|
| 4 |
+
"hERG": {
|
| 5 |
+
"ko": "μ¬μ₯λ
μ± β μΉΌλ₯¨μ±λ μ°¨λ¨",
|
| 6 |
+
"en": "Cardiotoxicity β hERG channel block"
|
| 7 |
+
},
|
| 8 |
+
"Solubility": {
|
| 9 |
+
"ko": "μμ©ν΄λ β λ¬Όμ λ
Ήλ μ λ",
|
| 10 |
+
"en": "Aqueous solubility"
|
| 11 |
+
},
|
| 12 |
+
"Withdrawal": {
|
| 13 |
+
"ko": "μν ν ν΄μΆ νμ ",
|
| 14 |
+
"en": "Post-marketing withdrawal"
|
| 15 |
+
},
|
| 16 |
+
"Phenotype": {
|
| 17 |
+
"ko": "μΈν¬ νν λ³ν β κ΅¬μ‘°λ§ λ³΄κ³ μμΈ‘",
|
| 18 |
+
"en": "Cell morphology response from structure alone"
|
| 19 |
+
},
|
| 20 |
+
"CYP3A4": {
|
| 21 |
+
"ko": "λμ¬ μ ν΄ β μ½λ¬Ό μνΈμμ© μ΅λ μμΈ",
|
| 22 |
+
"en": "CYP3A4 inhibition β main cause of drug interaction"
|
| 23 |
+
},
|
| 24 |
+
"CYP2D6": {
|
| 25 |
+
"ko": "λμ¬ μ ν΄ β κ°μΈμ°¨κ° ν° ν¨μ",
|
| 26 |
+
"en": "CYP2D6 inhibition β highly polymorphic enzyme"
|
| 27 |
+
},
|
| 28 |
+
"CYP2C9": {
|
| 29 |
+
"ko": "λμ¬ μ ν΄ β μνλ¦° κ³μ΄",
|
| 30 |
+
"en": "CYP2C9 inhibition β warfarin class"
|
| 31 |
+
},
|
| 32 |
+
"EGFR": {
|
| 33 |
+
"ko": "νμ νμ β μνΌμ±μ₯μΈμ μμ©μ²΄",
|
| 34 |
+
"en": "Lung cancer target β EGF receptor"
|
| 35 |
+
},
|
| 36 |
+
"JAK2": {
|
| 37 |
+
"ko": "골μμ¦μμ§ν νμ ",
|
| 38 |
+
"en": "Myeloproliferative disease target"
|
| 39 |
+
},
|
| 40 |
+
"PI3Ka": {
|
| 41 |
+
"ko": "μ’
μ μ νΈμ λ¬ νμ ",
|
| 42 |
+
"en": "Tumour signalling target"
|
| 43 |
+
},
|
| 44 |
+
"FLT3": {
|
| 45 |
+
"ko": "κΈμ±κ³¨μλ°±νλ³ νμ ",
|
| 46 |
+
"en": "Acute myeloid leukaemia target"
|
| 47 |
+
},
|
| 48 |
+
"VEGFR2": {
|
| 49 |
+
"ko": "νκ΄μ μ νμ β μ’
μ νκ΄ μ°¨λ¨",
|
| 50 |
+
"en": "Angiogenesis target"
|
| 51 |
+
},
|
| 52 |
+
"CDK2": {
|
| 53 |
+
"ko": "μΈν¬μ£ΌκΈ° νμ ",
|
| 54 |
+
"en": "Cell cycle target"
|
| 55 |
+
},
|
| 56 |
+
"HER2": {
|
| 57 |
+
"ko": "μ λ°©μ νμ ",
|
| 58 |
+
"en": "Breast cancer target"
|
| 59 |
+
},
|
| 60 |
+
"ABL1": {
|
| 61 |
+
"ko": "λ§μ±κ³¨μλ°±νλ³ νμ ",
|
| 62 |
+
"en": "Chronic myeloid leukaemia target"
|
| 63 |
+
},
|
| 64 |
+
"BRAF": {
|
| 65 |
+
"ko": "νμμ’
νμ ",
|
| 66 |
+
"en": "Melanoma target"
|
| 67 |
+
},
|
| 68 |
+
"KIT": {
|
| 69 |
+
"ko": "μμ₯κ΄κΈ°μ§μ’
μ νμ ",
|
| 70 |
+
"en": "GIST target"
|
| 71 |
+
},
|
| 72 |
+
"ALK": {
|
| 73 |
+
"ko": "νμ μ΅ν© νμ ",
|
| 74 |
+
"en": "Lung cancer fusion target"
|
| 75 |
+
},
|
| 76 |
+
"AChE": {
|
| 77 |
+
"ko": "μμΈ νμ΄λ¨Έ νμ β μμΈνΈμ½λ¦° λΆν΄ν¨μ",
|
| 78 |
+
"en": "Alzheimer target β acetylcholinesterase"
|
| 79 |
+
},
|
| 80 |
+
"MAOB": {
|
| 81 |
+
"ko": "νν¨μ¨ νμ β λͺ¨λ
Έμλ―Ό μ°νν¨μ B",
|
| 82 |
+
"en": "Parkinson target β monoamine oxidase B"
|
| 83 |
+
},
|
| 84 |
+
"COX2": {
|
| 85 |
+
"ko": "μμΌμ§ν΅ νμ ",
|
| 86 |
+
"en": "Anti-inflammatory target"
|
| 87 |
+
}
|
| 88 |
+
}
|
| 89 |
+
}
|
categories.json
CHANGED
|
@@ -112,7 +112,9 @@
|
|
| 112 |
"icon": "π¬",
|
| 113 |
"desc": "μ½μ΄ μ€μ μΈν¬μ λ¬΄μ¨ μ§μ νλκ°",
|
| 114 |
"planned": 5,
|
| 115 |
-
"boards": [
|
|
|
|
|
|
|
| 116 |
"desc_en": "What a compound actually does to a living cell"
|
| 117 |
},
|
| 118 |
{
|
|
|
|
| 112 |
"icon": "π¬",
|
| 113 |
"desc": "μ½μ΄ μ€μ μΈν¬μ λ¬΄μ¨ μ§μ νλκ°",
|
| 114 |
"planned": 5,
|
| 115 |
+
"boards": [
|
| 116 |
+
"Phenotype"
|
| 117 |
+
],
|
| 118 |
"desc_en": "What a compound actually does to a living cell"
|
| 119 |
},
|
| 120 |
{
|
data/phenotype_card.json
ADDED
|
@@ -0,0 +1,49 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"board": "Phenotype",
|
| 3 |
+
"target": "β",
|
| 4 |
+
"type": "νν νλ‘νμΌ 16μΆ (Cell Painting)",
|
| 5 |
+
"cut": null,
|
| 6 |
+
"threshold": null,
|
| 7 |
+
"n_train": 113688,
|
| 8 |
+
"n_test": 2001,
|
| 9 |
+
"positive_rate": 0.0,
|
| 10 |
+
"noise_floor": {
|
| 11 |
+
"sd_single": 0.0088231485954581,
|
| 12 |
+
"pairs": 600,
|
| 13 |
+
"compounds": 2001,
|
| 14 |
+
"median": 0.0088231485954581,
|
| 15 |
+
"mean": 0.0088231485954581,
|
| 16 |
+
"p90": 0.014469963696551284,
|
| 17 |
+
"kind": "metric_bootstrap"
|
| 18 |
+
},
|
| 19 |
+
"baselines": {
|
| 20 |
+
"μμ μμΈ‘": {
|
| 21 |
+
"mae": 3.402697801589966,
|
| 22 |
+
"auroc": null,
|
| 23 |
+
"prauc": null,
|
| 24 |
+
"profile_corr": 0.09155943244695663
|
| 25 |
+
},
|
| 26 |
+
"μ΅κ·Όμ μ΄μ": {
|
| 27 |
+
"mae": 4.604068756103516,
|
| 28 |
+
"auroc": null,
|
| 29 |
+
"prauc": null,
|
| 30 |
+
"profile_corr": 0.07925715297460556
|
| 31 |
+
},
|
| 32 |
+
"Morgan+LightGBM": {
|
| 33 |
+
"mae": 3.3996472241179068,
|
| 34 |
+
"auroc": null,
|
| 35 |
+
"prauc": null,
|
| 36 |
+
"profile_corr": 0.15912491324360925
|
| 37 |
+
}
|
| 38 |
+
},
|
| 39 |
+
"near_threshold": 0,
|
| 40 |
+
"explained_variance": 0.6100924015045166,
|
| 41 |
+
"split_grade": "S",
|
| 42 |
+
"split_grade_note": "골격 λΆν Β· νλ ¨μ μλ κ³¨κ²©λ§ νκ°",
|
| 43 |
+
"answer_grade": "P1",
|
| 44 |
+
"answer_grade_note": "JUMP λ μμ κ³΅κ° μλ£λ€. μ‘°ν λ°©μ΄λ 8μ‘°κ° λ΄λΉνλ€",
|
| 45 |
+
"source": "JUMP Cell Painting Β· CC0",
|
| 46 |
+
"built": "2026-08-22",
|
| 47 |
+
"metric": "profile_corr",
|
| 48 |
+
"primary": "νλ‘νμΌ μκ΄ (λμμλ‘ μ’μ)"
|
| 49 |
+
}
|
data/phenotype_test.json
ADDED
|
The diff for this file is too large to render.
See raw diff
|
|
|