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Katherine1216 1 week ago
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5 changed files with 3587 additions and 0 deletions
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      feature_similarity_chebi_ontology_DiShIn_2.csv
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after_analysis.ipynb
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correlation.csv View File

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,ABCG2,MDR1,MRP1,MRP2,MRP3,MRP4,NTCP2,S15A1,S22A1,SO1A2,SO1B1,SO1B3,SO2B1
ABCG2,1.0,0.33062186740639893,0.0,0.023091166088281156,0.0,0.11012756283548208,0.05688718351859041,0.15994735475018473,0.09758298213240739,0.0,0.015824916090554256,0.0,0.06599714517119677
MDR1,0.33062186740639893,1.0,0.15705927668061906,0.1665821613751204,0.1447298723786534,0.11230379374774091,0.1646862667744712,0.36313603889389623,0.23115240516972002,0.046743913570416455,0.13293209053262023,0.10757855596790206,0.08524654923006372
MRP1,0.0,0.15705927668061906,1.0,0.2935151367814544,0.21195788335388968,0.12852834967069726,0.03580818783928463,0.09509708029499961,0.06726070401281568,0.04935011211971703,0.05344437925603933,0.07290667965987413,0.0
MRP2,0.023091166088281156,0.1665821613751204,0.2935151367814544,1.0,0.271575348196169,0.0896939214300831,0.018703014714244563,0.07460999944595657,0.07463654348344394,0.11486354519764976,0.14585660098772588,0.16735208567878754,0.0927008007327366
MRP3,0.0,0.1447298723786534,0.21195788335388968,0.271575348196169,1.0,0.10925676331507965,0.0021952167775463227,0.05244075931583399,0.030025503672554514,0.0,0.059409606921124285,0.04835535442879014,0.03852304359960475
MRP4,0.11012756283548208,0.11230379374774091,0.12852834967069726,0.0896939214300831,0.10925676331507965,1.0,0.00441266671628765,0.03893881645201663,0.0,0.08092474838567072,0.11593908808210879,0.06691787734241014,0.0
NTCP2,0.05688718351859041,0.1646862667744712,0.03580818783928463,0.018703014714244563,0.0021952167775463227,0.00441266671628765,1.0,0.05526082406113272,0.03730051238875459,0.0,0.0,0.0,0.0
S15A1,0.15994735475018473,0.36313603889389623,0.09509708029499961,0.07460999944595657,0.05244075931583399,0.03893881645201663,0.05526082406113272,1.0,0.10413357559507819,0.0559891482062158,0.043207820662267776,0.03989347302706454,0.03043871211993202
S22A1,0.09758298213240739,0.23115240516972002,0.06726070401281568,0.07463654348344394,0.030025503672554514,0.0,0.03730051238875459,0.10413357559507819,1.0,0.01449335604364301,0.020967143295862425,0.033975669853802196,0.0
SO1A2,0.0,0.046743913570416455,0.04935011211971703,0.11486354519764976,0.0,0.08092474838567072,0.0,0.0559891482062158,0.01449335604364301,1.0,0.31711118184114123,0.32438942018216715,0.23045731325520283
SO1B1,0.015824916090554256,0.13293209053262023,0.05344437925603933,0.14585660098772588,0.059409606921124285,0.11593908808210879,0.0,0.043207820662267776,0.020967143295862425,0.31711118184114123,1.0,0.5013650378784474,0.25965593373237056
SO1B3,0.0,0.10757855596790206,0.07290667965987413,0.16735208567878754,0.04835535442879014,0.06691787734241014,0.0,0.03989347302706454,0.0339756698538022,0.32438942018216715,0.5013650378784474,1.0,0.19956501826788978
SO2B1,0.06599714517119677,0.08524654923006372,0.0,0.0927008007327366,0.03852304359960475,0.0,0.0,0.03043871211993202,0.0,0.23045731325520283,0.25965593373237056,0.19956501826788978,1.0

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exploratory_analysis.ipynb
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feature_similarity_chebi_ontology_DiShIn_2.csv
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,ACC,SP,RC,F1,AUC
ABCG2,0.8688662412075364,0.7220649584770986,0.48469747899159654,0.5768717057062506,0.890824654401294
MDR1,0.8262916533446026,0.779616420483179,0.904945054945054,0.8371012511749598,0.9243016618929701
MRP1,0.9521338539031396,0.8394357864357858,0.4445054945054943,0.5753029939803396,0.9057470989912937
MRP2,0.9353196308469238,0.7221269841269838,0.2540659340659339,0.36020054073220686,0.913290009156863
MRP3,0.9705257379634835,0.597535714285714,0.3107142857142857,0.3884667554667553,0.8974634804849475
MRP4,0.9748438806977268,0.3666666666666667,0.16699999999999995,0.2173809523809524,0.934140924002725
NTCP2,0.9940483100631543,0.9249999999999997,0.866666666666666,0.8909090909090901,0.9976055185624295
S15A1,0.9743142459640133,0.9173634100791993,0.8769565217391306,0.8944779341990672,0.9807829429712211
S22A1,0.9650912416552153,0.9194019036519032,0.6096190476190482,0.730417481391394,0.9421513522215603
SO1A2,0.9731989071941824,0.49666666666666665,0.13333333333333333,0.2037301587301587,0.8676382835578034
SO1B1,0.9561970161461332,0.5189999999999999,0.14097222222222214,0.21516994116994112,0.8963549335047917
SO1B3,0.9763331519673766,0.5125,0.151,0.2274761904761905,0.8518626474301156
SO2B1,0.9807471621555771,0.3,0.11,0.15428571428571433,0.8516104214400362

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