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update figs
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inoue0426 committed May 31, 2024
1 parent fabf623 commit ce606c9
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Showing 8 changed files with 2,053 additions and 13,080 deletions.
8,396 changes: 513 additions & 7,883 deletions Figs/Fig2.ipynb

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1,107 changes: 260 additions & 847 deletions Figs/Fig3.ipynb

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1,114 changes: 19 additions & 1,095 deletions Figs/Fig4.ipynb

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3,857 changes: 765 additions & 3,092 deletions Figs/Fig5.ipynb

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101 changes: 101 additions & 0 deletions Figs/dti_drugbank.csv

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56 changes: 56 additions & 0 deletions Figs/nci_gdsc.csv
Original file line number Diff line number Diff line change
@@ -0,0 +1,56 @@
"nci60","gdsc1","gdsc2"
"BR:MCF7","MCF7","MCF7"
"BR:MDA-MB-231","MDA-MB-231","MDA-MB-231"
"BR:HS 578T","Hs-578-T","Hs-578-T"
"BR:BT-549","BT-549","BT-549"
"BR:T-47D","T47D","T47D"
"CNS:SF-268","SF268","SF268"
"CNS:SF-295","SF295","SF295"
"CNS:SF-539","SF539","SF539"
"CNS:SNB-75","SNB75","SNB75"
"CNS:U251","U251","U251"
"CO:COLO 205","COLO-205","COLO-205"
"CO:HCC-2998","HCC2998","HCC2998"
"CO:HCT-116","HCT-116","HCT-116"
"CO:HCT-15","HCT-15","HCT-15"
"CO:HT29","HT-29","HT-29"
"CO:KM12","KM12","KM12"
"CO:SW-620","SW620","SW620"
"LE:CCRF-CEM","CCRF-CEM","CCRF-CEM"
"LE:HL-60(TB)","HL-60","HL-60"
"LE:K-562","K-562","K-562"
"LE:MOLT-4","MOLT-4","MOLT-4"
"LE:RPMI-8226","RPMI-8226","RPMI-8226"
"LE:SR","SR","SR"
"ME:LOX IMVI","LOXIMVI","LOXIMVI"
"ME:M14","M14","M14"
"ME:SK-MEL-2","SK-MEL-2","SK-MEL-2"
"ME:SK-MEL-28","SK-MEL-28","SK-MEL-28"
"ME:SK-MEL-5","SK-MEL-5","SK-MEL-5"
"ME:UACC-257","UACC-257","UACC-257"
"ME:UACC-62","UACC-62","UACC-62"
"LC:A549/ATCC","A549","A549"
"LC:EKVX","EKVX","EKVX"
"LC:HOP-62","HOP-62","HOP-62"
"LC:HOP-92","HOP-92","HOP-92"
"LC:NCI-H226","NCI-H226","NCI-H226"
"LC:NCI-H23","NCI-H23","NCI-H23"
"LC:NCI-H322M","NCI-H322M","NCI-H322M"
"LC:NCI-H460","NCI-H460","NCI-H460"
"LC:NCI-H522","NCI-H522","NCI-H522"
"OV:IGROV1","IGROV-1","IGROV-1"
"OV:OVCAR-3","OVCAR-3","OVCAR-3"
"OV:OVCAR-4","OVCAR-4","OVCAR-4"
"OV:OVCAR-5","OVCAR-5","OVCAR-5"
"OV:OVCAR-8","OVCAR-8","OVCAR-8"
"OV:SK-OV-3","SK-OV-3","SK-OV-3"
"PR:PC-3","PC-3","PC-3"
"PR:DU-145","DU-145","DU-145"
"RE:786-0","786-0","786-0"
"RE:A498","A498","A498"
"RE:ACHN","ACHN","ACHN"
"RE:CAKI-1","CAKI-1","CAKI-1"
"RE:RXF 393","RXF393","RXF393"
"RE:SN12C","SN12C","SN12C"
"RE:TK-10","TK10","TK10"
"RE:UO-31","U031","U031"
191 changes: 28 additions & 163 deletions Figs/pubchem.csv

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311 changes: 311 additions & 0 deletions Figs/result.csv
Original file line number Diff line number Diff line change
@@ -0,0 +1,311 @@
0,1,2,3,4
740,METHOTREXATE,ATIC,58,44
740,METHOTREXATE,TYMS,64,45
740,METHOTREXATE,DHFR,300,210
752,6-THIOGUANINE,PGR,1,1
752,6-THIOGUANINE,adenosine deaminase,11,6
755,6-MERCAPTOPURINE,HPRT1,4,3
762,Nitrogen mustard,ZAP70,2,1
762,Nitrogen mustard,LCK,1,1
3053,Actinomycin D,TOP1,3,3
3088,Chlorambucil,ZAP70,16,10
3088,Chlorambucil,adenosine deaminase,5,4
6396,Thiotepa,adenosine deaminase,1,0
8806,Melphalan,PGR,9,3
8806,Melphalan,adenosine deaminase,2,0
14229,Acrichine,adenosine deaminase,2,1
19893,Fluorouracil,PLA2G2A,2,2
26980,Mitomycin,PGR,6,1
26980,Mitomycin,RET,5,2
27640,Floxuridine,TYMS,5,4
38721,Mitotane,AR,4,3
38721,Mitotane,CYP11B1,12,0
51143,Pyrazoloimidazole,adenosine deaminase,3,3
63878,Cytarabine,POLB,2,0
63984,Cordycepin,ZAP70,1,1
63984,Cordycepin,adenosine deaminase,48,37
77213,Procarbazine,MAOA,2,0
82151,Daunorubicin,TOP2A,80,56
82151,Daunorubicin,SERPINA6,1,1
83142,Daunorubicin,TOP2B,21,15
83142,Daunorubicin,TOP2A,80,56
89201,Estramustine,MAP2,10,5
94600,CAMPTOTHECIN,MPO,14,11
95382,Camptothecin Derivative,PGR,2,2
95382,Camptothecin Derivative,adenosine deaminase,2,1
100880,Camptothecin,TOP1,300,220
107124,Camptothecin Derivative,PGR,2,2
107124,Camptothecin Derivative,RET,8,5
107124,Camptothecin Derivative,LCK,2,2
109724,Ifosfamide,NR1I2,10,7
109724,Ifosfamide,MPO,2,2
118218,Fludarabine,DCK,22,18
122819,Teniposide,TOP1,1,1
122819,Teniposide,TOP2A,6,6
123127,Doxorubicin,DCK,20,14
123127,Doxorubicin,RRM1,8,6
124463,Fludarabine,PLA2G2A,1,1
125066,Bleomycin,DNMT3A,2,1
125066,Bleomycin,DNMT3B,1,1
125066,Bleomycin,DNMT1,3,3
125066,Bleomycin,HDAC1,6,4
127716,DECITABINE,PGR,5,0
127716,DECITABINE,ZAP70,3,3
127716,DECITABINE,EPHB6,1,0
127716,DECITABINE,adenosine deaminase,2,2
132483,Aminopterin Derivative,PGR,41,0
132483,Aminopterin Derivative,adenosine deaminase,48,0
134033,Aminopterin Derivative,PGR,41,22
134727,Mitomycin,PGR,6,1
134727,Mitomycin,adenosine deaminase,3,3
134727,Mitomycin,RET,5,2
141540,Etoposide,ALB,9,4
141540,Etoposide,TOP2A,92,72
141540,Etoposide,CHI3L1,2,2
141549,M-AMSA,adenosine deaminase,2,1
143020,Mithramycin,MPO,1,1
143095,Pyrazofurin,adenosine deaminase,2,0
148958,Tegafur,TYMS,12,11
153353,L-Alanosine,adenosine deaminase,4,1
154948,M-AMSA,KCNH2,1,1
154948,M-AMSA,TOP2A,4,4
156303,M-AMSA,TOP2A,4,4
169780,Dexrazoxane,TOP2B,13,0
169780,Dexrazoxane,TOP2A,8,7
169780,Dexrazoxane,MPO,1,0
174121,Methotrexate Derivative,PGR,57,32
174121,Methotrexate Derivative,LCK,2,1
174121,Methotrexate Derivative,adenosine deaminase,74,0
176323,Camptothecin Derivative,PGR,2,2
176323,Camptothecin Derivative,adenosine deaminase,2,1
176323,Camptothecin Derivative,LCK,2,2
184692,Aminopterin Derivative,adenosine deaminase,48,29
184692,Aminopterin Derivative,RET,3,0
224131,N-Phosphonacetyl-L-aspartate,adenosine deaminase,2,0
241240,Carboplatin,PGR,14,9
241240,Carboplatin,LCK,2,1
249910,Camptothecin Derivative,PGR,2,2
249910,Camptothecin Derivative,LCK,2,2
249992,M-AMSA,KCNH2,1,1
249992,M-AMSA,TOP2A,4,4
256439,Idarubicin,TOP2A,4,0
256927,CHIP,PGR,38,31
256927,CHIP,ZAP70,7,6
256927,CHIP,EPHB6,1,1
256927,CHIP,adenosine deaminase,10,0
256927,CHIP,LCK,14,11
266046,Oxaliplatin,TOP2B,1,1
266046,Oxaliplatin,TOP2A,5,3
266046,Oxaliplatin,MPO,3,3
281612,benzaldehyde (BEN),PGR,1,0
281612,benzaldehyde (BEN),LCK,1,0
281612,benzaldehyde (BEN),adenosine deaminase,1,1
287459,Cytarabine,POLB,2,0
287459,Cytarabine,MIR330,1,0
295499,Camptothecin Derivative,PGR,2,2
295499,Camptothecin Derivative,LCK,2,2
295499,Camptothecin Derivative,adenosine deaminase,2,1
295500,Camptothecin Derivative,PGR,2,2
295500,Camptothecin Derivative,adenosine deaminase,2,1
295500,Camptothecin Derivative,LCK,2,2
295501,Camptothecin Derivative,adenosine deaminase,2,1
302991,Camptothecin Derivative,PGR,2,2
302991,Camptothecin Derivative,LCK,2,2
328410,Camptothecin Derivative,PGR,2,2
328410,Camptothecin Derivative,adenosine deaminase,2,1
328410,Camptothecin Derivative,LCK,2,2
344007,Piperazine,DCK,5,4
344007,Piperazine,POLA1,1,1
354258,8-Chloro-adenosine,adenosine deaminase,5,5
363812,TETRAPLATIN,LCK,1,0
364830,Camptothecin Derivative,PGR,2,2
364830,Camptothecin Derivative,adenosine deaminase,2,1
364830,Camptothecin Derivative,LCK,2,2
368390,Brequinar,DHODH,136,95
369100,Imiquimod,TLR7,300,225
369100,Imiquimod,TLR8,82,58
374028,Camptothecin Derivative,PGR,2,2
374028,Camptothecin Derivative,adenosine deaminase,2,0
374028,Camptothecin Derivative,RET,8,5
374551,FENRETINIDE,UGT1A1,2,2
409962,Carmustine,GSR,2,0
603076,9-Nitro-10-hydroxy-20(S)-camptothecin,UGT1A1,1,1
606172,Camptothecin Derivative,PGR,2,2
606172,Camptothecin Derivative,adenosine deaminase,2,1
606172,Camptothecin Derivative,UGT1A1,300,200
606173,Camptothecin Derivative,PGR,2,0
606173,Camptothecin Derivative,LCK,2,2
606173,Camptothecin Derivative,adenosine deaminase,2,1
606497,Camptothecin Derivative,PGR,2,2
606497,Camptothecin Derivative,adenosine deaminase,2,1
606498,Camptothecin Derivative,PGR,2,2
606498,Camptothecin Derivative,LCK,2,2
606498,Camptothecin Derivative,adenosine deaminase,2,0
606499,Camptothecin Derivative,PGR,2,2
606499,Camptothecin Derivative,BMX,2,2
606499,Camptothecin Derivative,LCK,2,2
606869,Clofarabine,KIR3DL2,1,1
606985,Camptothecin Derivative,PGR,2,0
606985,Camptothecin Derivative,adenosine deaminase,2,0
606985,Camptothecin Derivative,LCK,2,2
606986,Camptothecin Derivative,PGR,2,2
606986,Camptothecin Derivative,LCK,2,2
609699,Topotecan,RRM1,3,0
609699,Topotecan,MPO,2,2
610456,Camptothecin Derivative,PGR,2,2
610456,Camptothecin Derivative,adenosine deaminase,2,1
610457,Camptothecin Derivative,PGR,2,2
610457,Camptothecin Derivative,adenosine deaminase,2,1
610457,Camptothecin Derivative,LCK,2,2
610458,Camptothecin Derivative,PGR,2,0
610459,Camptothecin Derivative,PGR,2,2
610459,Camptothecin Derivative,adenosine deaminase,2,1
613327,Gemcitabine,CMPK1,4,3
613327,Gemcitabine,RRM1,259,0
613327,Gemcitabine,TYMS,11,9
616348,Irinotecan,TOP1,129,94
618939,Camptothecin Derivative,PGR,2,2
618939,Camptothecin Derivative,LCK,2,2
623017,An Antifol,PGR,43,23
623017,An Antifol,adenosine deaminase,51,0
627505,ellipticine,RET,2,1
629971,Camptothecin Derivative,PGR,2,2
629971,Camptothecin Derivative,LCK,2,2
633782,Simvastatin,HDAC2,3,3
633782,Simvastatin,HMGCR,112,0
637037,O-6-Benzylguanine,PGR,1,1
637037,O-6-Benzylguanine,adenosine deaminase,1,1
638066,2-n-methyl-6-thiaellipticinum iodide,PGR,10,4
638066,2-n-methyl-6-thiaellipticinum iodide,adenosine deaminase,19,0
638066,2-n-methyl-6-thiaellipticinum iodide,LCK,7,0
639174,Camptothecin Derivative,PGR,2,2
639174,Camptothecin Derivative,UGT1A1,300,200
639186,Raltitrexed,FPGS,23,17
639186,Raltitrexed,TYMS,7,0
643833,Camptothecin Derivative,PGR,2,0
643833,Camptothecin Derivative,RET,8,5
673596,7-Ethyl-10-hydroxycamptothecin,TOP1,129,94
681632,Camptothecin Derivative,PGR,2,2
681632,Camptothecin Derivative,LCK,2,2
681632,Camptothecin Derivative,UGT1A1,300,0
681633,Camptothecin Derivative,PGR,2,2
681633,Camptothecin Derivative,UGT1A1,300,200
681633,Camptothecin Derivative,adenosine deaminase,2,1
681634,Camptothecin Derivative,PGR,2,2
681634,Camptothecin Derivative,adenosine deaminase,2,1
681634,Camptothecin Derivative,LCK,2,2
681635,Camptothecin Derivative,PGR,2,2
681635,Camptothecin Derivative,adenosine deaminase,2,1
681635,Camptothecin Derivative,LCK,2,2
681636,Camptothecin Derivative,PGR,2,2
681636,Camptothecin Derivative,LCK,2,0
681637,Camptothecin Derivative,PGR,2,2
681637,Camptothecin Derivative,adenosine deaminase,2,1
681637,Camptothecin Derivative,LCK,2,2
681638,Camptothecin Derivative,PGR,2,2
681638,Camptothecin Derivative,BMX,2,2
681639,Camptothecin Derivative,PGR,2,2
681639,Camptothecin Derivative,adenosine deaminase,2,1
681639,Camptothecin Derivative,UGT1A1,300,200
681640,Camptothecin Derivative,PGR,2,2
681641,Camptothecin Derivative,adenosine deaminase,2,1
681642,Camptothecin Derivative,PGR,2,2
681642,Camptothecin Derivative,adenosine deaminase,2,1
681643,Camptothecin Derivative,PGR,2,2
681643,Camptothecin Derivative,adenosine deaminase,2,1
681643,Camptothecin Derivative,LCK,2,2
681644,Camptothecin Derivative,PGR,2,2
681644,Camptothecin Derivative,LCK,2,2
681644,Camptothecin Derivative,adenosine deaminase,2,1
681645,Camptothecin Derivative,PGR,2,2
681645,Camptothecin Derivative,adenosine deaminase,2,1
681646,Camptothecin Derivative,PGR,2,0
682298,Camptothecin Derivative,PGR,2,0
682298,Camptothecin Derivative,LCK,2,2
683555,Camptothecin Derivative,PGR,2,2
683555,Camptothecin Derivative,adenosine deaminase,2,0
683555,Camptothecin Derivative,LCK,2,2
683556,Camptothecin Derivative,PGR,2,2
683556,Camptothecin Derivative,LCK,2,2
683556,Camptothecin Derivative,adenosine deaminase,2,1
683557,Camptothecin Derivative,PGR,2,0
683557,Camptothecin Derivative,adenosine deaminase,2,1
683557,Camptothecin Derivative,LCK,2,2
683558,Camptothecin Derivative,PGR,2,2
683558,Camptothecin Derivative,adenosine deaminase,2,1
683558,Camptothecin Derivative,UGT1A1,300,200
698037,Pemetrexed,TYMS,32,27
698037,Pemetrexed,DHFR,51,39
702294,Estramustine,MAP2,10,5
702294,Estramustine,MAP1A,1,0
709237,Camptothecin Derivative,PGR,2,2
709237,Camptothecin Derivative,LCK,2,2
719276,Fulvestrant,ESR1,300,189
719627,Celecoxib,CDH11,2,1
719627,Celecoxib,PTGS2,300,216
719627,Celecoxib,CA2,47,35
719627,Celecoxib,NEU1,1,1
719627,Celecoxib,PDPK1,8,6
721517,Zoledronate,FDPS,15,11
721517,Zoledronate,MPO,1,0
728073,Irinotecan,TOP1,129,94
728073,Irinotecan,MPO,13,0
735037,Camptothecin Derivative,PGR,2,2
735037,Camptothecin Derivative,BMX,2,0
735037,Camptothecin Derivative,BTK,2,2
747856,Olaparib,AKR1C3,1,1
747856,Olaparib,PARP2,72,49
747856,Olaparib,PARP3,11,7
747856,Olaparib,PARP1,300,222
752840,Veliparib,PARP2,39,24
752840,Veliparib,PARP1,155,99
753686,Olaparib,AKR1C3,1,1
753686,Olaparib,PARP2,72,49
753686,Olaparib,PARP1,300,222
754230,pralatrexate,FPGS,6,4
754230,pralatrexate,DHFR,13,9
754771,Itraconazole,DHFR,1,0
755384,Pemetrexed,TOP2A,4,2
755841,Actinomycin D,ZAP70,2,2
755841,Actinomycin D,PGR,4,0
755841,Actinomycin D,LCK,4,2
755841,Actinomycin D,RET,3,2
755841,Actinomycin D,adenosine deaminase,13,10
756660,Quercetin,HSPA2,1,0
756660,Quercetin,CYP1B1,34,15
756717,DAUNORUBICIN,TOP2B,21,15
756717,DAUNORUBICIN,TOP2A,80,56
757036,Fluorouracil,TYMS,220,163
757087,Nitrogen mustard,ZAP70,2,1
757087,Nitrogen mustard,adenosine deaminase,2,1
757098,Melphalan,PGR,9,3
757098,Melphalan,RET,3,1
757348,6-Thioguanine,PGR,1,1
757348,6-Thioguanine,adenosine deaminase,11,6
757804,Etoposide,TYMS,4,0
758230,Floxuridine,ALB,1,0
758251,Amonafide,TOP2A,2,1
758255,Teniposide,TOP2A,6,6
758255,Teniposide,MPO,1,0
758612,Bleomycin,TOP2A,4,1
758612,Bleomycin,CSF3,1,0
758667,Teniposide,TOP1,1,1
758667,Teniposide,TOP2A,6,6
758706,Simvastatin,HDAC2,3,3
758706,Simvastatin,HMGCR,112,80
758706,Simvastatin,MPO,30,22
759155,Doxorubicin,TOP2A,109,0
759155,Doxorubicin,KRT14,1,1
759155,Doxorubicin,SERPINA6,1,0
759195,Epirubicin,TOP1,3,1
759195,Epirubicin,MPO,3,0
759263,Topotecan,TOP1MT,1,1
759263,Topotecan,TOP1,135,92
759263,Topotecan,MMP3,1,1
759614,6-Mercaptopurine,HPRT1,4,3
759614,6-Mercaptopurine,IMPDH1,8,0
759857,Clofarabine,RRM1,4,3
759878,Irinotecan,TOP1MT,2,0
759878,Irinotecan,TOP1,129,0
765396,BMN-673,TOP1,5,5
767125,BMN-673,PARP1,128,92

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