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Compound	ATC code	Description	Score	Rank
[1] Untitled Original SMILES: C/1=C/C=C\C(CC(O)=O)=C1\O Prepared SMILES: OC(=O)Cc1ccccc1O	N02	Analgesics	0.0456216	1
	N02B	Other analgesics and antipyretics	0.0399811	2
	S01	Ophthalmologicals	0.038602	3
	N02BA	Salicylic acid and derivatives	0.0383004	4
	M01	Antiinflammatory and antirheumatic products	0.0334907	5
	M01A	Antiinflammatory and antirheumatic products, non-steroids	0.0330281	6
	J01	Antibacterials for systemic use	0.0243437	7
	L01	Antineoplastic agents	0.0219834	8
	V03	All other therapeutic products	0.0190123	9
	V03A	All other therapeutic products	0.0190123	10
	S01B	Antiinflammatory agents	0.0176602	11
	S01BC	Antiinflammatory agents, non-steroids	0.0163155	12
	M02	Topical products for joint and muscular pain	0.0156748	13
	M02A	Topical products for joint and muscular pain	0.0156748	14
	N06	Psychoanaleptics	0.015608	15
	M02AA	Antiinflammatory preparations, non-steroids for topical use	0.0152167	16
	N05	Psycholeptics	0.0151656	17
	D01	Antifungals for dermatological use	0.0148931	18
	D01A	Antifungals for topical use	0.0148931	19
	V03AC	Iron chelating agents	0.0141638	20
	M01AE	Propionic acid derivatives	0.0135728	21
	C10	Lipid modifying agents	0.0123096	22
	M01AB	Acetic acid derivatives and related substances	0.0119088	23
	D01AE	Other antifungals for topical use	0.0115632	24
	C01	Cardiac therapy	0.011284	25
	N06A	Antidepressants	0.0111563	26
	C10A	Lipid modifying agents, plain	0.0110839	27
	B01	Antithrombotic agents	0.010221	28
	B01A	Antithrombotic agents	0.010221	29
	N05A	Antipsychotics	0.0100712	30
	R03	Drugs for obstructive airway diseases	0.00945164	31
	L01X	Other antineoplastic agents	0.00877556	32
	J01D	Other beta-lactam antibacterials	0.00818856	33
	G01	Gynecological antiinfectives and antiseptics	0.00809483	34
	G01A	Antiinfectives and antiseptics, excl. combinations with corticosteroids	0.00809483	35
	A03	Drugs for functional gastrointestinal disorders	0.00781538	36
	G03	Sex hormones and modulators of the genital system	0.00769919	37
	R06	Antihistamines for systemic use	0.00723206	38
	R06A	Antihistamines for systemic use	0.00723206	39
	J05	Antivirals for systemic use	0.0067376	40
	J05A	Direct acting antivirals	0.0067376	41
	A10	Drugs used in diabetes	0.00653511	42
	C02	Antihypertensives	0.0064968	43
	C03	Diuretics	0.0062461	44
	N03	Antiepileptics	0.00611058	45
	N03A	Antiepileptics	0.00611058	46
	R01	Nasal preparations	0.00596531	47
	R01A	Decongestants and other nasal preparations for topical use	0.00596531	48
	S01A	Antiinfectives	0.00585861	49
	A07	Antidiarrheals, intestinal antiinflammatory\/antiinfective agents	0.00585829	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
1826	2021-09-23 10:33:27	Anatomical therapeutic chemical (ATC) codes	SD-ATC Model	Drug-ATC association network (version 2020)	Klekota-Roth (KR)	k = 2, Top 50

Results

[1] Untitled

Job Information