Table 1 Highest and lowest-scoring classes using the LR algorithm
Class_id | f1_score | Class_name | Class_members |
|---|---|---|---|
CHEBI:61689 | 1.0 | Amino cyclitol | 41 |
CHEBI:26253 | 1.0 | Polyprenylhydroquinone | 45 |
CHEBI:134209 | 1.0 | Aporphine alkaloid | 54 |
CHEBI:132157 | 1.0 | Hydroxy-1,4-naphthoquinone | 35 |
CHEBI:17810 | 1.0 | 1-O-(alk-1-enyl)-2-O-acyl-sn-glycero-3-phospho... | 46 |
CHEBI:17636 | 1.0 | Sphingomyelin d18:1 | 46 |
CHEBI:26255 | 1.0 | Prenylquinone | 38 |
CHEBI:83563 | 1.0 | Long-chain alkane | 29 |
CHEBI:60687 | 1.0 | Cembrane diterpenoid | 35 |
CHEBI:38836 | 1.0 | 1-benzothiophenes | 43 |
CHEBI:36685 | 1.0 | Chlorocarboxylic acid | 33 |
CHEBI:75946 | 1.0 | Cytochalasan alkaloid | 30 |
CHEBI:38768 | 1.0 | Phthalazines | 41 |
CHEBI:80291 | 1.0 | Aliphatic nitrile | 35 |
CHEBI:38769 | 1.0 | Indazoles | 45 |
CHEBI:37531 | 1.0 | Polyprenyl diphosphate | 41 |
CHEBI:58168 | 1.0 | 1-O-acyl-sn-glycero-3-phosphocholine | 37 |
CHEBI:83876 | 1.0 | Cationic sphingoid | 30 |
CHEBI:64590 | 1.0 | Monoalkyl-sn-glycero-3-phosphocholine | 30 |
CHEBI:131903 | 1.0 | Pyranopyrazole | 32 |
Class_id | f1_score | Class_name | Class_members |
|---|---|---|---|
CHEBI:16733 | 0.0 | D-alpha-amino acid | 51 |
CHEBI:48544 | 0.0 | Methanesulfonates | 54 |
CHEBI:33702 | 0.0 | Polyatomic cation | 2178 |
CHEBI:47704 | 0.0 | Ammonium salt | 38 |
CHEBI:59869 | 0.0 | L-alpha-amino acid zwitterion | 53 |
CHEBI:50128 | 0.0 | Biflavonoid | 53 |
CHEBI:25414 | 0.0 | Monoatomic monocation | 32 |
CHEBI:46899 | 0.0 | Benzothiazine | 37 |
CHEBI:35218 | 0.0 | Anthocyanin cation | 47 |
CHEBI:64985 | 0.0 | Bioconjugate | 39 |
CHEBI:33639 | 0.0 | Ortho- and peri-fused compound | 56 |
CHEBI:38716 | 0.0 | Carboxylic acid dianion | 311 |
CHEBI:59635 | 0.0 | Organophosphonate oxoanion | 38 |
CHEBI:35284 | 0.0 | Ammonium betaine | 1205 |
CHEBI:29089 | 0.0 | 1,2-diacyl-sn-glycerol 3-phosphate | 52 |
CHEBI:35296 | 0.0 | Ortho-fused polycyclic arene | 38 |
CHEBI:26469 | 0.0 | Quaternary nitrogen compound | 1317 |
CHEBI:38037 | 0.0 | Methanesulfonate salt | 40 |
CHEBI:76176 | 0.0 | 2-hydroxy fatty acid anion | 43 |
CHEBI:59558 | 0.0 | Medium-chain fatty acid anion | 36 |