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Compound	ATC code	Description	Score	Rank
[1] Untitled Original SMILES: C/1=C/C=C\C(C(O)=O)=C1\O Prepared SMILES: OC(=O)c1ccccc1O	N02	Analgesics	0.236894	Known
	N02B	Other analgesics and antipyretics	0.224272	Known
	N02BA	Salicylic acid and derivatives	0.20555	Known
	D01	Antifungals for dermatological use	0.154834	Known
	D01A	Antifungals for topical use	0.154834	Known
	S01	Ophthalmologicals	0.13235	Known
	D01AE	Other antifungals for topical use	0.108026	Known
	S01B	Antiinflammatory agents	0.100605	Known
	S01BC	Antiinflammatory agents, non-steroids	0.0942182	Known
	M01	Antiinflammatory and antirheumatic products	0.065138	1
	M01A	Antiinflammatory and antirheumatic products, non-steroids	0.0648166	2
	D01AC	Imidazole and triazole derivatives	0.0453878	3
	G01	Gynecological antiinfectives and antiseptics	0.0357117	4
	G01A	Antiinfectives and antiseptics, excl. combinations with corticosteroids	0.0357117	5
	M01AG	Fenamates	0.0345596	6
	B01	Antithrombotic agents	0.0268769	7
	B01A	Antithrombotic agents	0.0268769	8
	M02	Topical products for joint and muscular pain	0.026206	9
	M02A	Topical products for joint and muscular pain	0.026206	10
	M02AA	Antiinflammatory preparations, non-steroids for topical use	0.0260334	11
	B01AC	Platelet aggregation inhibitors excl. heparin	0.0231928	12
	G01AF	Imidazole derivatives	0.0230408	13
	J01	Antibacterials for systemic use	0.0209624	14
	V03	All other therapeutic products	0.0194802	15
	V03A	All other therapeutic products	0.0194802	16
	V03AC	Iron chelating agents	0.015626	17
	L01	Antineoplastic agents	0.0151222	18
	A07	Antidiarrheals, intestinal antiinflammatory\/antiinfective agents	0.0148391	19
	A01	Stomatological preparations	0.0129554	20
	A01A	Stomatological preparations	0.0129554	21
	P02	Anthelmintics	0.0107856	22
	M01AB	Acetic acid derivatives and related substances	0.0105545	23
	A07E	Intestinal antiinflammatory agents	0.0105086	24
	C01	Cardiac therapy	0.0103088	25
	N05	Psycholeptics	0.0099978	26
	S01A	Antiinfectives	0.00976807	27
	M01AE	Propionic acid derivatives	0.00961665	28
	P02C	Antinematodal agents	0.00943186	29
	A01AB	Antiinfectives and antiseptics for local oral treatment	0.00930047	30
	P02CA	Benzimidazole derivatives	0.00923225	31
	S02	Otologicals	0.00914189	32
	N02BE	Anilides	0.00912738	33
	J04	Antimycobacterials	0.00900332	34
	J04A	Drugs for treatment of tuberculosis	0.00879157	35
	N06	Psychoanaleptics	0.00860171	36
	R01	Nasal preparations	0.00856813	37
	R01A	Decongestants and other nasal preparations for topical use	0.00856813	38
	R02	Throat preparations	0.00844534	39
	R02A	Throat preparations	0.00844534	40
	R03	Drugs for obstructive airway diseases	0.00839059	41
	C10	Lipid modifying agents	0.00786265	42
	N05A	Antipsychotics	0.00776083	43
	J02	Antimycotics for systemic use	0.00759658	44
	J02A	Antimycotics for systemic use	0.00759658	45
	C05	Vasoprotectives	0.00753946	46
	A07EC	Aminosalicylic acid and similar agents	0.00751617	47
	J04AA	Aminosalicylic acid and derivatives	0.00751617	48
	D01B	Antifungals for systemic use	0.00733965	49
	D01BA	Antifungals for systemic use	0.00733965	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
1827	2021-09-23 16:04:08	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