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CompoundADE IDADE nameScoreRank

[1] Untitled

Original SMILES:
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC

Prepared SMILES:
COc1c(OC)ccc2c1c[n+]1CCc3c(c1c2)cc1c(c3)OCO1

MESHID:D014839Vomiting0.07477591
MESHID:D009325Nausea0.07471492
MESHID:D010146Pain0.07397363
MESHID:D006261Headache0.07079214
MESHID:D006973Hypertension0.07036385
MESHID:D009369Neoplasms0.0686771Known
MESHID:D000647Amnesia0.06843Known
MESHID:D004487Edema0.0663147Known
MESHID:D012640Seizures0.06421186
MESHID:D004244Dizziness0.0635887
MESHID:D007022Hypotension0.06282168
MESHID:D006470Hemorrhage0.0610546Known
MESHID:D011471Prostatic Neoplasms0.0603473Known
MESHID:D003556Cystitis0.059765Known
MESHID:D005076Exanthema0.05790959
MESHID:D010190Pancreatic Neoplasms0.0576465Known
MESHID:D002471Cell Transformation, Neoplastic0.0519792Known
MESHID:D001862Bone Resorption0.0510585Known
MESHID:D007333Insulin Resistance0.0509999Known
UMLSID:C0015967body temperature increased0.050180710
MESHID:D011537Pruritus0.04997311
MESHID:D001919Bradycardia0.049854312
MESHID:D001145Arrhythmias, Cardiac0.049477913
MESHID:D013610Tachycardia0.048249114
UMLSID:C0013604NULL0.047711215
MESHID:D015746Abdominal Pain0.047625516
MESHID:D006967Hypersensitivity0.046852917
MESHID:D007077Ileal Diseases0.0464719Known
MESHID:D014581Urticaria0.045219618
UMLSID:C0011991Diarrhoea0.045017619
MESHID:D000855Anorexia0.044625320
UMLSID:C0002871anaemia0.044620321
MESHID:D005221Fatigue0.043789722
UMLSID:C0013404NULL0.043703823
MESHID:D001007Anxiety0.041157724
MESHID:D058186Acute Kidney Injury0.040587725
MESHID:D004890Erythema0.040426626
MESHID:D014202Tremor0.039814227
MESHID:D000707Anaphylaxis0.038893828
MESHID:D009203Myocardial Infarction0.038573429
MESHID:D003221Confusion0.038553630
MESHID:D007319Sleep Initiation and Maintenance Disorders0.038516731
MESHID:D007239Infection0.038270532
MESHID:D001247Asthenia0.037588933
MESHID:D013921Thrombocytopenia0.036077834
MESHID:D002637Chest Pain0.035845235
MESHID:D003248Constipation0.035153536
MESHID:D051437Renal Insufficiency0.034226337
MESHID:D012131Respiratory Insufficiency0.033187138
MESHID:D006323Heart Arrest0.032793139
MESHID:D003967Diarrhea0.03254340
MESHID:D006333Heart Failure0.0324141
MESHID:D000799Angioedema0.032327242
MESHID:D005483Flushing0.03207643
MESHID:D009336Necrosis0.031606944
MESHID:D003371Cough0.031428845
UMLSID:C0030252palpitation0.031363446
MESHID:D001416Back Pain0.0313547
MESHID:D004362Drug Toxicity0.030616748
UMLSID:C0085631agitated0.030597249
MESHID:D006505Hepatitis0.029225250

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)
16652021-07-23
08:49:48
Adverse drug events (ADEs)ADENetDrug-ADE association network (version 2013)Klekota-Roth (KR)k = 2, Top 50

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