Results
Compound | ATC code | Description | Score | Rank |
---|---|---|---|---|
[1] UntitledOriginal SMILES: Prepared SMILES: | J01 | Antibacterials for systemic use | 0.12588 | 1 |
L01 | Antineoplastic agents | 0.113284 | 2 | |
S01 | Ophthalmologicals | 0.0832055 | 3 | |
L01X | Other antineoplastic agents | 0.0722009 | 4 | |
N05 | Psycholeptics | 0.0643808 | 5 | |
L01XX | Other antineoplastic agents | 0.0531538 | 6 | |
J01D | Other beta-lactam antibacterials | 0.0509002 | 7 | |
C01 | Cardiac therapy | 0.0401371 | 8 | |
N06 | Psychoanaleptics | 0.0400907 | 9 | |
N05A | Antipsychotics | 0.0362129 | 10 | |
C09 | Agents acting on the renin-angiotensin system | 0.0360524 | 11 | |
R02 | Throat preparations | 0.0336222 | 12 | |
R02A | Throat preparations | 0.0336222 | 13 | |
H01 | Pituitary and hypothalamic hormones and analogues | 0.032198 | 14 | |
C05 | Vasoprotectives | 0.0315253 | 15 | |
C10 | Lipid modifying agents | 0.0309623 | 16 | |
J05 | Antivirals for systemic use | 0.03061 | 17 | |
J05A | Direct acting antivirals | 0.03061 | 18 | |
V04 | Diagnostic agents | 0.0303991 | 19 | |
V04C | Other diagnostic agents | 0.0303991 | 20 | |
N06A | Antidepressants | 0.0300822 | 21 | |
S01A | Antiinfectives | 0.0298107 | 22 | |
G02 | Other gynecologicals | 0.0295619 | 23 | |
M01 | Antiinflammatory and antirheumatic products | 0.0292639 | 24 | |
N02 | Analgesics | 0.0286143 | 25 | |
M01A | Antiinflammatory and antirheumatic products, non-steroids | 0.0284292 | 26 | |
G03 | Sex hormones and modulators of the genital system | 0.0282174 | 27 | |
A10 | Drugs used in diabetes | 0.0281457 | 28 | |
A10B | Blood glucose lowering drugs, excl. insulins | 0.0276309 | 29 | |
V03 | All other therapeutic products | 0.0270415 | 30 | |
V03A | All other therapeutic products | 0.0270415 | 31 | |
N01 | Anesthetics | 0.0268602 | 32 | |
J01C | Beta-lactam antibacterials, penicillins | 0.0264868 | 33 | |
R03 | Drugs for obstructive airway diseases | 0.0257536 | 34 | |
B01 | Antithrombotic agents | 0.0247235 | 35 | |
B01A | Antithrombotic agents | 0.0247235 | 36 | |
S01AA | Antibiotics | 0.0234106 | 37 | |
R06 | Antihistamines for systemic use | 0.0232595 | 38 | |
R06A | Antihistamines for systemic use | 0.0232595 | 39 | |
R02AA | Antiseptics | 0.0229058 | 40 | |
G01 | Gynecological antiinfectives and antiseptics | 0.0227446 | 41 | |
G01A | Antiinfectives and antiseptics, excl. combinations with corticosteroids | 0.0227446 | 42 | |
J01DC | Second-generation cephalosporins | 0.0226193 | 43 | |
N05C | Hypnotics and sedatives | 0.022513 | 44 | |
P01 | Antiprotozoals | 0.0223346 | 45 | |
H01C | Hypothalamic hormones | 0.0219977 | 46 | |
A07 | Antidiarrheals, intestinal antiinflammatory\/antiinfective agents | 0.0215065 | 47 | |
D06 | Antibiotics and chemotherapeutics for dermatological use | 0.0212867 | 48 | |
A01 | Stomatological preparations | 0.0212349 | 49 | |
A01A | Stomatological preparations | 0.0212349 | 50 |
Job Information
Job ID | Submitted date | Prediction type | Method | Network | Molecular fingerprint | Other parameter(s) | Score matrix |
---|---|---|---|---|---|---|---|
1670 | 2021-07-25 10:56:57 | Anatomical therapeutic chemical (ATC) codes | SD-ATC Model | Drug-ATC association network (version 2020) | Klekota-Roth (KR) | k = 2, Top 50 |