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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
+ ====
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