Text Classification
Transformers
PyTorch
Safetensors
bert
chemistry
biology
drug-discovery
drug-target
chembl34
selfies
drugs
molecules
compounds
Eval Results (legacy)
text-embeddings-inference
Instructions to use gbyuvd/drugtargetpred-chemselfies with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Transformers
How to use gbyuvd/drugtargetpred-chemselfies with Transformers:
# Use a pipeline as a high-level helper from transformers import pipeline pipe = pipeline("text-classification", model="gbyuvd/drugtargetpred-chemselfies")# Load model directly from transformers import AutoTokenizer, AutoModelForSequenceClassification tokenizer = AutoTokenizer.from_pretrained("gbyuvd/drugtargetpred-chemselfies") model = AutoModelForSequenceClassification.from_pretrained("gbyuvd/drugtargetpred-chemselfies") - Notebooks
- Google Colab
- Kaggle
Upload test_results.txt
Browse files- test_results.txt +1605 -0
test_results.txt
ADDED
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|
| 1 |
+
=================
|
| 2 |
+
Accuracy: 0.6199
|
| 3 |
+
Macro F1: 0.6127
|
| 4 |
+
Weighted F1: 0.6127
|
| 5 |
+
|
| 6 |
+
=================
|
| 7 |
+
|
| 8 |
+
F1-score 0.9-0.99: 39 classes
|
| 9 |
+
F1-score 0.7-0.8: 23 classes
|
| 10 |
+
F1-score 0.5-0.6: 24 classes
|
| 11 |
+
F1-score 0.4-0.5: 36 classes
|
| 12 |
+
F1-score below 0.4: 49 classes
|
| 13 |
+
|
| 14 |
+
==================
|
| 15 |
+
|
| 16 |
+
----
|
| 17 |
+
range 0.0 - 0.1
|
| 18 |
+
|
| 19 |
+
----
|
| 20 |
+
range 0.1 - 0.2
|
| 21 |
+
CHEMBL261: Carbonic anhydrase I (F1: 0.1833)
|
| 22 |
+
CHEMBL333: Matrix metalloproteinase-2 (F1: 0.1763)
|
| 23 |
+
CHEMBL228: Serotonin transporter (F1: 0.1625)
|
| 24 |
+
CHEMBL2971: Tyrosine-protein kinase JAK2 (F1: 0.1571)
|
| 25 |
+
CHEMBL3594: Carbonic anhydrase IX (F1: 0.1529)
|
| 26 |
+
CHEMBL217: Dopamine D2 receptor (F1: 0.1306)
|
| 27 |
+
|
| 28 |
+
----
|
| 29 |
+
range 0.2 - 0.3
|
| 30 |
+
CHEMBL301: Cyclin-dependent kinase 2 (F1: 0.2981)
|
| 31 |
+
CHEMBL251: Adenosine A2a receptor (F1: 0.2963)
|
| 32 |
+
CHEMBL332: Matrix metalloproteinase-1 (F1: 0.2959)
|
| 33 |
+
CHEMBL3267: PI3-kinase p110-gamma subunit (F1: 0.2880)
|
| 34 |
+
CHEMBL1937: Histone deacetylase 2 (F1: 0.2857)
|
| 35 |
+
CHEMBL2185: Serine/threonine-protein kinase Aurora-B (F1: 0.2849)
|
| 36 |
+
CHEMBL325: Histone deacetylase 1 (F1: 0.2799)
|
| 37 |
+
CHEMBL226: Adenosine A1 receptor (F1: 0.2739)
|
| 38 |
+
CHEMBL340: Cytochrome P450 3A4 (F1: 0.2733)
|
| 39 |
+
CHEMBL1865: Histone deacetylase 6 (F1: 0.2633)
|
| 40 |
+
CHEMBL224: Serotonin 2a (5-HT2a) receptor (F1: 0.2521)
|
| 41 |
+
CHEMBL225: Serotonin 2c (5-HT2c) receptor (F1: 0.2520)
|
| 42 |
+
CHEMBL205: Carbonic anhydrase II (F1: 0.2507)
|
| 43 |
+
CHEMBL232: Alpha-1b adrenergic receptor (F1: 0.2234)
|
| 44 |
+
CHEMBL233: Mu opioid receptor (F1: 0.2201)
|
| 45 |
+
CHEMBL279: Vascular endothelial growth factor receptor 2 (F1: 0.2194)
|
| 46 |
+
CHEMBL240: HERG (F1: 0.2188)
|
| 47 |
+
CHEMBL229: Alpha-1a adrenergic receptor (F1: 0.2120)
|
| 48 |
+
CHEMBL3397: Cytochrome P450 2C9 (F1: 0.2065)
|
| 49 |
+
|
| 50 |
+
----
|
| 51 |
+
range 0.3 - 0.4
|
| 52 |
+
CHEMBL280: Matrix metalloproteinase 13 (F1: 0.3957)
|
| 53 |
+
CHEMBL3231: Rho-associated protein kinase 1 (F1: 0.3923)
|
| 54 |
+
CHEMBL210: Beta-2 adrenergic receptor (F1: 0.3911)
|
| 55 |
+
CHEMBL256: Adenosine A3 receptor (F1: 0.3826)
|
| 56 |
+
CHEMBL1936: Stem cell growth factor receptor (F1: 0.3786)
|
| 57 |
+
CHEMBL245: Muscarinic acetylcholine receptor M3 (F1: 0.3774)
|
| 58 |
+
CHEMBL3145: PI3-kinase p110-beta subunit (F1: 0.3697)
|
| 59 |
+
CHEMBL213: Beta-1 adrenergic receptor (F1: 0.3696)
|
| 60 |
+
CHEMBL3837: Cathepsin L (F1: 0.3684)
|
| 61 |
+
CHEMBL2742: Fibroblast growth factor receptor 3 (F1: 0.3669)
|
| 62 |
+
CHEMBL2148: Tyrosine-protein kinase JAK3 (F1: 0.3621)
|
| 63 |
+
CHEMBL223: Alpha-1d adrenergic receptor (F1: 0.3579)
|
| 64 |
+
CHEMBL2147: Serine/threonine-protein kinase PIM1 (F1: 0.3578)
|
| 65 |
+
CHEMBL3650: Fibroblast growth factor receptor 1 (F1: 0.3386)
|
| 66 |
+
CHEMBL283: Matrix metalloproteinase 3 (F1: 0.3379)
|
| 67 |
+
CHEMBL289: Cytochrome P450 2D6 (F1: 0.3315)
|
| 68 |
+
CHEMBL3242: Carbonic anhydrase XII (F1: 0.3229)
|
| 69 |
+
CHEMBL214: Serotonin 1a (5-HT1a) receptor (F1: 0.3204)
|
| 70 |
+
CHEMBL234: Dopamine D3 receptor (F1: 0.3204)
|
| 71 |
+
CHEMBL1983: Serotonin 1d (5-HT1d) receptor (F1: 0.3150)
|
| 72 |
+
CHEMBL4005: PI3-kinase p110-alpha subunit (F1: 0.3109)
|
| 73 |
+
CHEMBL2292: Dual-specificity tyrosine-phosphorylation regulated kinase 1A (F1: 0.3096)
|
| 74 |
+
CHEMBL321: Matrix metalloproteinase 9 (F1: 0.3056)
|
| 75 |
+
CHEMBL211: Muscarinic acetylcholine receptor M2 (F1: 0.3030)
|
| 76 |
+
|
| 77 |
+
----
|
| 78 |
+
range 0.4 - 0.5
|
| 79 |
+
CHEMBL2039: Monoamine oxidase B (F1: 0.4977)
|
| 80 |
+
CHEMBL4361: Induced myeloid leukemia cell differentiation protein Mcl-1 (F1: 0.4962)
|
| 81 |
+
CHEMBL1951: Monoamine oxidase A (F1: 0.4951)
|
| 82 |
+
CHEMBL206: Estrogen receptor alpha (F1: 0.4948)
|
| 83 |
+
CHEMBL236: Delta opioid receptor (F1: 0.4933)
|
| 84 |
+
CHEMBL239: Peroxisome proliferator-activated receptor alpha (F1: 0.4916)
|
| 85 |
+
CHEMBL267: Tyrosine-protein kinase SRC (F1: 0.4896)
|
| 86 |
+
CHEMBL4072: Cathepsin B (F1: 0.4878)
|
| 87 |
+
CHEMBL268: Cathepsin K (F1: 0.4808)
|
| 88 |
+
CHEMBL2326: Carbonic anhydrase VII (F1: 0.4742)
|
| 89 |
+
CHEMBL1913: Platelet-derived growth factor receptor beta (F1: 0.4717)
|
| 90 |
+
CHEMBL1868: Vascular endothelial growth factor receptor 1 (F1: 0.4676)
|
| 91 |
+
CHEMBL4142: Fibroblast growth factor receptor 2 (F1: 0.4579)
|
| 92 |
+
CHEMBL1898: Serotonin 1b (5-HT1b) receptor (F1: 0.4560)
|
| 93 |
+
CHEMBL3130: PI3-kinase p110-delta subunit (F1: 0.4505)
|
| 94 |
+
CHEMBL4225: Dual specificity protein kinase CLK2 (F1: 0.4476)
|
| 95 |
+
CHEMBL4588: Matrix metalloproteinase 8 (F1: 0.4472)
|
| 96 |
+
CHEMBL4523: Serine/threonine-protein kinase PIM2 (F1: 0.4419)
|
| 97 |
+
CHEMBL3155: Serotonin 7 (5-HT7) receptor (F1: 0.4416)
|
| 98 |
+
CHEMBL238: Dopamine transporter (F1: 0.4403)
|
| 99 |
+
CHEMBL220: Acetylcholinesterase (F1: 0.4375)
|
| 100 |
+
CHEMBL258: Tyrosine-protein kinase LCK (F1: 0.4296)
|
| 101 |
+
CHEMBL1974: Tyrosine-protein kinase receptor FLT3 (F1: 0.4293)
|
| 102 |
+
CHEMBL308: Cyclin-dependent kinase 1 (F1: 0.4276)
|
| 103 |
+
CHEMBL237: Kappa opioid receptor (F1: 0.4270)
|
| 104 |
+
CHEMBL5113: Orexin receptor 1 (F1: 0.4252)
|
| 105 |
+
CHEMBL231: Histamine H1 receptor (F1: 0.4251)
|
| 106 |
+
CHEMBL222: Norepinephrine transporter (F1: 0.4245)
|
| 107 |
+
CHEMBL3729: Carbonic anhydrase IV (F1: 0.4194)
|
| 108 |
+
CHEMBL2722: Cytochrome P450 11B2 (F1: 0.4146)
|
| 109 |
+
CHEMBL4722: Serine/threonine-protein kinase Aurora-A (F1: 0.4126)
|
| 110 |
+
CHEMBL216: Muscarinic acetylcholine receptor M1 (F1: 0.4092)
|
| 111 |
+
CHEMBL3192: Histone deacetylase 8 (F1: 0.4078)
|
| 112 |
+
CHEMBL1829: Histone deacetylase 3 (F1: 0.4073)
|
| 113 |
+
CHEMBL1833: Serotonin 2b (5-HT2b) receptor (F1: 0.4026)
|
| 114 |
+
CHEMBL203: Epidermal growth factor receptor erbB1 (F1: 0.4023)
|
| 115 |
+
|
| 116 |
+
----
|
| 117 |
+
range 0.5 - 0.6
|
| 118 |
+
CHEMBL204: Thrombin (F1: 0.5959)
|
| 119 |
+
CHEMBL3979: Peroxisome proliferator-activated receptor delta (F1: 0.5919)
|
| 120 |
+
CHEMBL4860: Apoptosis regulator Bcl-2 (F1: 0.5876)
|
| 121 |
+
CHEMBL218: Cannabinoid CB1 receptor (F1: 0.5831)
|
| 122 |
+
CHEMBL2056: Dopamine D1 receptor (F1: 0.5783)
|
| 123 |
+
CHEMBL1862: Tyrosine-protein kinase ABL (F1: 0.5741)
|
| 124 |
+
CHEMBL1908: Cytochrome P450 11B1 (F1: 0.5720)
|
| 125 |
+
CHEMBL246: Beta-3 adrenergic receptor (F1: 0.5650)
|
| 126 |
+
CHEMBL4204: MAP kinase signal-integrating kinase 2 (F1: 0.5504)
|
| 127 |
+
CHEMBL4822: Beta-secretase 1 (F1: 0.5460)
|
| 128 |
+
CHEMBL242: Estrogen receptor beta (F1: 0.5356)
|
| 129 |
+
CHEMBL5407: Serine/threonine-protein kinase PIM3 (F1: 0.5311)
|
| 130 |
+
CHEMBL253: Cannabinoid CB2 receptor (F1: 0.5288)
|
| 131 |
+
CHEMBL262: Glycogen synthase kinase-3 beta (F1: 0.5248)
|
| 132 |
+
CHEMBL219: Dopamine D4 receptor (F1: 0.5246)
|
| 133 |
+
CHEMBL2973: Rho-associated protein kinase 2 (F1: 0.5241)
|
| 134 |
+
CHEMBL4501: Ribosomal protein S6 kinase 1 (F1: 0.5209)
|
| 135 |
+
CHEMBL3973: Fibroblast growth factor receptor 4 (F1: 0.5180)
|
| 136 |
+
CHEMBL2954: Cathepsin S (F1: 0.5172)
|
| 137 |
+
CHEMBL3553: Tyrosine-protein kinase TYK2 (F1: 0.5138)
|
| 138 |
+
CHEMBL4792: Orexin receptor 2 (F1: 0.5133)
|
| 139 |
+
CHEMBL2835: Tyrosine-protein kinase JAK1 (F1: 0.5119)
|
| 140 |
+
CHEMBL235: Peroxisome proliferator-activated receptor gamma (F1: 0.5030)
|
| 141 |
+
CHEMBL1821: Muscarinic acetylcholine receptor M4 (F1: 0.5000)
|
| 142 |
+
|
| 143 |
+
----
|
| 144 |
+
range 0.6 - 0.7
|
| 145 |
+
CHEMBL5145: Serine/threonine-protein kinase B-raf (F1: 0.6977)
|
| 146 |
+
CHEMBL4302: P-glycoprotein 1 (F1: 0.6957)
|
| 147 |
+
CHEMBL230: Cyclooxygenase-2 (F1: 0.6847)
|
| 148 |
+
CHEMBL2525: Beta secretase 2 (F1: 0.6829)
|
| 149 |
+
CHEMBL3116: Cyclin-dependent kinase 9 (F1: 0.6667)
|
| 150 |
+
CHEMBL4625: Apoptosis regulator Bcl-X (F1: 0.6652)
|
| 151 |
+
CHEMBL2034: Glucocorticoid receptor (F1: 0.6650)
|
| 152 |
+
CHEMBL244: Coagulation factor X (F1: 0.6649)
|
| 153 |
+
CHEMBL264: Histamine H3 receptor (F1: 0.6617)
|
| 154 |
+
CHEMBL4247: ALK tyrosine kinase receptor (F1: 0.6545)
|
| 155 |
+
CHEMBL2276: c-Jun N-terminal kinase 1 (F1: 0.6506)
|
| 156 |
+
CHEMBL4979: Sodium/glucose cotransporter 1 (F1: 0.6467)
|
| 157 |
+
CHEMBL1824: Receptor protein-tyrosine kinase erbB-2 (F1: 0.6447)
|
| 158 |
+
CHEMBL215: Arachidonate 5-lipoxygenase (F1: 0.6416)
|
| 159 |
+
CHEMBL4333: Sphingosine 1-phosphate receptor Edg-1 (F1: 0.6409)
|
| 160 |
+
CHEMBL3706: ADAM17 (F1: 0.6316)
|
| 161 |
+
CHEMBL1844: Macrophage colony stimulating factor receptor (F1: 0.6263)
|
| 162 |
+
CHEMBL208: Progesterone receptor (F1: 0.6253)
|
| 163 |
+
CHEMBL2842: Serine/threonine-protein kinase mTOR (F1: 0.6196)
|
| 164 |
+
CHEMBL1914: Butyrylcholinesterase (F1: 0.6186)
|
| 165 |
+
CHEMBL255: Adenosine A2b receptor (F1: 0.6147)
|
| 166 |
+
CHEMBL287: Sigma opioid receptor (F1: 0.6104)
|
| 167 |
+
CHEMBL3371: Serotonin 6 (5-HT6) receptor (F1: 0.6087)
|
| 168 |
+
|
| 169 |
+
----
|
| 170 |
+
range 0.7 - 0.8
|
| 171 |
+
CHEMBL5658: Prostaglandin E synthase (F1: 0.7913)
|
| 172 |
+
CHEMBL335: Protein-tyrosine phosphatase 1B (F1: 0.7891)
|
| 173 |
+
CHEMBL331: Cyclin-dependent kinase 4 (F1: 0.7810)
|
| 174 |
+
CHEMBL3717: Hepatocyte growth factor receptor (F1: 0.7656)
|
| 175 |
+
CHEMBL2014: Nociceptin receptor (F1: 0.7632)
|
| 176 |
+
CHEMBL1978: Cytochrome P450 19A1 (F1: 0.7553)
|
| 177 |
+
CHEMBL2111389: CDK9/cyclin T1 (F1: 0.7526)
|
| 178 |
+
CHEMBL4578: Maternal embryonic leucine zipper kinase (F1: 0.7494)
|
| 179 |
+
CHEMBL1906: Serine/threonine-protein kinase RAF (F1: 0.7488)
|
| 180 |
+
CHEMBL4630: Serine/threonine-protein kinase Chk1 (F1: 0.7441)
|
| 181 |
+
CHEMBL3024: Serine/threonine-protein kinase PLK1 (F1: 0.7422)
|
| 182 |
+
CHEMBL3884: Sodium/glucose cotransporter 2 (F1: 0.7409)
|
| 183 |
+
CHEMBL2581: Cathepsin D (F1: 0.7404)
|
| 184 |
+
CHEMBL209: Trypsin I (F1: 0.7333)
|
| 185 |
+
CHEMBL2815: Nerve growth factor receptor Trk-A (F1: 0.7296)
|
| 186 |
+
CHEMBL2695: Focal adhesion kinase 1 (F1: 0.7294)
|
| 187 |
+
CHEMBL3892: Sphingosine 1-phosphate receptor Edg-3 (F1: 0.7211)
|
| 188 |
+
CHEMBL4282: Serine/threonine-protein kinase AKT (F1: 0.7163)
|
| 189 |
+
CHEMBL5393: ATP-binding cassette sub-family G member 2 (F1: 0.7153)
|
| 190 |
+
CHEMBL1957: Insulin-like growth factor I receptor (F1: 0.7115)
|
| 191 |
+
CHEMBL2487: Amyloid-beta A4 protein (F1: 0.7042)
|
| 192 |
+
CHEMBL1871: Androgen Receptor (F1: 0.7040)
|
| 193 |
+
CHEMBL260: MAP kinase p38 alpha (F1: 0.7010)
|
| 194 |
+
|
| 195 |
+
----
|
| 196 |
+
range 0.8 - 0.9
|
| 197 |
+
CHEMBL4015: C-C chemokine receptor type 2 (F1: 0.8993)
|
| 198 |
+
CHEMBL4439: TGF-beta receptor type I (F1: 0.8988)
|
| 199 |
+
CHEMBL1741186: Nuclear receptor ROR-gamma (F1: 0.8985)
|
| 200 |
+
CHEMBL4235: 11-beta-hydroxysteroid dehydrogenase 1 (F1: 0.8967)
|
| 201 |
+
CHEMBL4296: Sodium channel protein type IX alpha subunit (F1: 0.8960)
|
| 202 |
+
CHEMBL4409: Phosphodiesterase 10A (F1: 0.8960)
|
| 203 |
+
CHEMBL4794: Vanilloid receptor (F1: 0.8873)
|
| 204 |
+
CHEMBL3983: Dual specificity protein kinase TTK (F1: 0.8834)
|
| 205 |
+
CHEMBL1163125: Bromodomain-containing protein 4 (F1: 0.8788)
|
| 206 |
+
CHEMBL274: C-C chemokine receptor type 5 (F1: 0.8784)
|
| 207 |
+
CHEMBL3227: Metabotropic glutamate receptor 5 (F1: 0.8715)
|
| 208 |
+
CHEMBL2334: Caspase-3 (F1: 0.8651)
|
| 209 |
+
CHEMBL2047: Bile acid receptor FXR (F1: 0.8628)
|
| 210 |
+
CHEMBL4040: MAP kinase ERK2 (F1: 0.8607)
|
| 211 |
+
CHEMBL6136: Lysine-specific histone demethylase 1 (F1: 0.8544)
|
| 212 |
+
CHEMBL3880: Heat shock protein HSP 90-alpha (F1: 0.8537)
|
| 213 |
+
CHEMBL344: Melanin-concentrating hormone receptor 1 (F1: 0.8449)
|
| 214 |
+
CHEMBL1827: Phosphodiesterase 5A (F1: 0.8325)
|
| 215 |
+
CHEMBL275: Phosphodiesterase 4B (F1: 0.8286)
|
| 216 |
+
CHEMBL3759: Histamine H4 receptor (F1: 0.8286)
|
| 217 |
+
CHEMBL3473: C-C chemokine receptor type 3 (F1: 0.8253)
|
| 218 |
+
CHEMBL2599: Tyrosine-protein kinase SYK (F1: 0.8247)
|
| 219 |
+
CHEMBL1075104: Leucine-rich repeat serine/threonine-protein kinase 2 (F1: 0.8212)
|
| 220 |
+
CHEMBL3778: Interleukin-1 receptor-associated kinase 4 (F1: 0.8177)
|
| 221 |
+
CHEMBL4685: Indoleamine 2,3-dioxygenase (F1: 0.8171)
|
| 222 |
+
CHEMBL2409: Epoxide hydratase (F1: 0.8075)
|
| 223 |
+
CHEMBL5251: Tyrosine-protein kinase BTK (F1: 0.8051)
|
| 224 |
+
|
| 225 |
+
----
|
| 226 |
+
range 0.9 - 1.0
|
| 227 |
+
CHEMBL252: Endothelin receptor ET-A (F1: 0.9875)
|
| 228 |
+
CHEMBL4829: Acetyl-CoA carboxylase 2 (F1: 0.9849)
|
| 229 |
+
CHEMBL3713062: Tissue factor pathway inhibitor (F1: 0.9825)
|
| 230 |
+
CHEMBL2176771: Complement factor D (F1: 0.9801)
|
| 231 |
+
CHEMBL3988583: Sepiapterin reductase (F1: 0.9798)
|
| 232 |
+
CHEMBL3572: Cholesteryl ester transfer protein (F1: 0.9776)
|
| 233 |
+
CHEMBL1800: Corticotropin releasing factor receptor 1 (F1: 0.9750)
|
| 234 |
+
CHEMBL4198: Inhibitor of apoptosis protein 3 (F1: 0.9704)
|
| 235 |
+
CHEMBL5137: Metabotropic glutamate receptor 2 (F1: 0.9679)
|
| 236 |
+
CHEMBL5652: Glucose-dependent insulinotropic receptor (F1: 0.9677)
|
| 237 |
+
CHEMBL1985: Glucagon receptor (F1: 0.9674)
|
| 238 |
+
CHEMBL2001: Purinergic receptor P2Y12 (F1: 0.9674)
|
| 239 |
+
CHEMBL2007625: Isocitrate dehydrogenase [NADP] cytoplasmic (F1: 0.9628)
|
| 240 |
+
CHEMBL3820: Hexokinase type IV (F1: 0.9606)
|
| 241 |
+
CHEMBL4550: 5-lipoxygenase activating protein (F1: 0.9606)
|
| 242 |
+
CHEMBL6009: Diacylglycerol O-acyltransferase 1 (F1: 0.9604)
|
| 243 |
+
CHEMBL298: Cholecystokinin B receptor (F1: 0.9582)
|
| 244 |
+
CHEMBL1855: Gonadotropin-releasing hormone receptor (F1: 0.9538)
|
| 245 |
+
CHEMBL1945: Melatonin receptor 1A (F1: 0.9512)
|
| 246 |
+
CHEMBL4561: Neuropeptide Y receptor type 5 (F1: 0.9484)
|
| 247 |
+
CHEMBL4805: P2X purinoceptor 7 (F1: 0.9439)
|
| 248 |
+
CHEMBL5071: G protein-coupled receptor 44 (F1: 0.9438)
|
| 249 |
+
CHEMBL4616: Ghrelin receptor (F1: 0.9409)
|
| 250 |
+
CHEMBL4422: Free fatty acid receptor 1 (F1: 0.9406)
|
| 251 |
+
CHEMBL4441: C-X-C chemokine receptor type 3 (F1: 0.9403)
|
| 252 |
+
CHEMBL248: Leukocyte elastase (F1: 0.9373)
|
| 253 |
+
CHEMBL2998: P2X purinoceptor 3 (F1: 0.9363)
|
| 254 |
+
CHEMBL1744525: Nicotinamide phosphoribosyltransferase (F1: 0.9307)
|
| 255 |
+
CHEMBL1966: Dihydroorotate dehydrogenase (F1: 0.9272)
|
| 256 |
+
CHEMBL5023: p53-binding protein Mdm-2 (F1: 0.9250)
|
| 257 |
+
CHEMBL259: Melanocortin receptor 4 (F1: 0.9246)
|
| 258 |
+
CHEMBL1889: Vasopressin V1a receptor (F1: 0.9173)
|
| 259 |
+
CHEMBL3105: Poly [ADP-ribose] polymerase-1 (F1: 0.9158)
|
| 260 |
+
CHEMBL286: Renin (F1: 0.9148)
|
| 261 |
+
CHEMBL2000: Plasma kallikrein (F1: 0.9109)
|
| 262 |
+
CHEMBL249: Neurokinin 1 receptor (F1: 0.9104)
|
| 263 |
+
CHEMBL2243: Anandamide amidohydrolase (F1: 0.9059)
|
| 264 |
+
CHEMBL284: Dipeptidyl peptidase IV (F1: 0.9037)
|
| 265 |
+
CHEMBL2094135: Gamma-secretase (F1: 0.9020)
|
| 266 |
+
|
| 267 |
+
====
|
| 268 |
+
Class: 0
|
| 269 |
+
Precision: 0.8274
|
| 270 |
+
Recall: 0.8150
|
| 271 |
+
F1-score: 0.8212
|
| 272 |
+
Support: 200
|
| 273 |
+
|
| 274 |
+
Class: 1
|
| 275 |
+
Precision: 0.8878
|
| 276 |
+
Recall: 0.8700
|
| 277 |
+
F1-score: 0.8788
|
| 278 |
+
Support: 200
|
| 279 |
+
|
| 280 |
+
Class: 2
|
| 281 |
+
Precision: 0.9124
|
| 282 |
+
Recall: 0.8850
|
| 283 |
+
F1-score: 0.8985
|
| 284 |
+
Support: 200
|
| 285 |
+
|
| 286 |
+
Class: 3
|
| 287 |
+
Precision: 0.9216
|
| 288 |
+
Recall: 0.9400
|
| 289 |
+
F1-score: 0.9307
|
| 290 |
+
Support: 200
|
| 291 |
+
|
| 292 |
+
Class: 4
|
| 293 |
+
Precision: 0.9750
|
| 294 |
+
Recall: 0.9750
|
| 295 |
+
F1-score: 0.9750
|
| 296 |
+
Support: 200
|
| 297 |
+
|
| 298 |
+
Class: 5
|
| 299 |
+
Precision: 0.4549
|
| 300 |
+
Recall: 0.5550
|
| 301 |
+
F1-score: 0.5000
|
| 302 |
+
Support: 200
|
| 303 |
+
|
| 304 |
+
Class: 6
|
| 305 |
+
Precision: 0.6089
|
| 306 |
+
Recall: 0.6850
|
| 307 |
+
F1-score: 0.6447
|
| 308 |
+
Support: 200
|
| 309 |
+
|
| 310 |
+
Class: 7
|
| 311 |
+
Precision: 0.8204
|
| 312 |
+
Recall: 0.8450
|
| 313 |
+
F1-score: 0.8325
|
| 314 |
+
Support: 200
|
| 315 |
+
|
| 316 |
+
Class: 8
|
| 317 |
+
Precision: 0.3436
|
| 318 |
+
Recall: 0.5000
|
| 319 |
+
F1-score: 0.4073
|
| 320 |
+
Support: 200
|
| 321 |
+
|
| 322 |
+
Class: 9
|
| 323 |
+
Precision: 0.3580
|
| 324 |
+
Recall: 0.4600
|
| 325 |
+
F1-score: 0.4026
|
| 326 |
+
Support: 200
|
| 327 |
+
|
| 328 |
+
Class: 10
|
| 329 |
+
Precision: 0.6327
|
| 330 |
+
Recall: 0.6200
|
| 331 |
+
F1-score: 0.6263
|
| 332 |
+
Support: 200
|
| 333 |
+
|
| 334 |
+
Class: 11
|
| 335 |
+
Precision: 0.9789
|
| 336 |
+
Recall: 0.9300
|
| 337 |
+
F1-score: 0.9538
|
| 338 |
+
Support: 200
|
| 339 |
+
|
| 340 |
+
Class: 12
|
| 341 |
+
Precision: 0.5422
|
| 342 |
+
Recall: 0.6100
|
| 343 |
+
F1-score: 0.5741
|
| 344 |
+
Support: 200
|
| 345 |
+
|
| 346 |
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F1-score: 0.3669
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F1-score: 0.8286
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F1-score: 0.3957
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F1-score: 0.7296
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F1-score: 0.3379
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F1-score: 0.6196
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F1-score: 0.7891
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F1-score: 0.6316
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F1-score: 0.8286
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| 1243 |
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F1-score: 0.8177
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| 1249 |
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F1-score: 0.9606
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F1-score: 0.8834
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F1-score: 0.9798
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F1-score: 0.5504
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F1-score: 0.8967
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F1-score: 0.6545
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F1-score: 0.7163
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F1-score: 0.8960
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F1-score: 0.6957
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F1-score: 0.6409
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F1-score: 0.4962
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F1-score: 0.8960
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F1-score: 0.9406
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F1-score: 0.8988
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| 1410 |
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| 1411 |
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F1-score: 0.9403
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| 1412 |
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F1-score: 0.5209
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| 1421 |
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| 1422 |
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| 1423 |
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F1-score: 0.4419
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| 1424 |
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| 1427 |
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| 1428 |
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| 1429 |
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F1-score: 0.9606
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| 1430 |
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| 1433 |
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| 1434 |
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F1-score: 0.9484
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| 1439 |
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F1-score: 0.7494
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| 1445 |
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F1-score: 0.4472
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F1-score: 0.9409
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| 1457 |
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F1-score: 0.6652
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F1-score: 0.8171
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F1-score: 0.6977
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| 1550 |
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| 1555 |
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F1-score: 0.8051
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| 1559 |
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| 1561 |
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F1-score: 0.7153
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| 1562 |
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| 1565 |
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| 1566 |
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| 1567 |
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F1-score: 0.5311
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| 1568 |
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| 1569 |
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| 1570 |
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| 1571 |
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| 1572 |
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| 1573 |
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F1-score: 0.9677
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| 1574 |
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| 1575 |
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| 1576 |
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| 1577 |
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| 1578 |
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| 1579 |
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F1-score: 0.7913
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| 1580 |
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| 1581 |
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|
| 1582 |
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| 1583 |
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| 1584 |
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| 1585 |
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F1-score: 0.9604
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| 1586 |
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| 1587 |
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| 1588 |
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| 1589 |
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| 1590 |
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| 1591 |
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F1-score: 0.8544
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| 1592 |
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|
| 1593 |
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|
| 1594 |
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| 1595 |
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| 1596 |
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| 1597 |
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F1-score: 0.6127
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| 1598 |
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| 1599 |
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|
| 1600 |
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| 1601 |
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| 1602 |
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| 1603 |
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F1-score: 0.6127
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| 1604 |
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Support: 44200
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| 1605 |
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