ChemTEB Pair Classification Datasets
Collection
Chemical Pair Classification Datasets for Evaluating Text Embedding Models
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10 items
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Updated
title
stringlengths 4
182
| synonyms
stringlengths 2
329
| labels
int64 0
1
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|---|---|---|
Nadifloxacin | 9-Fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic Acid | 1 |
Ethanol | Art Naturals | 1 |
Digalacturonic acid | alpha-D-galactopyranuronosyl-(1->4)-D-galactopyranuronic acid | 1 |
Carbendazim | Equitdazin | 1 |
Isovaleric acid | DELPHINIC-ACID | 1 |
Methantheline | Methanthelinum | 1 |
Climbazole | 1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one | 1 |
4-Ethyl-2-methoxyphenol | 4-Ethyl-2-methoxy phenol | 1 |
Adipic Acid | adipic acid | 1 |
Diisopropylethylamine | N-ethyldiiso-propyl-amine | 1 |
1,3-Diphenylguanidine | Melaniline | 1 |
Desthiobiotin | 6-(5-methyl-2-oxoimidazolidin-4-yl)hexanoic acid | 1 |
2-Butyne-1,4-diol | 1,4-Dimethoxyacetylene | 1 |
Promoxolane | WLN: T5O COTJ BY1&1 BY1&1 D1Q | 1 |
Iproniazid | Marsilid | 1 |
Diazepam | DIAZEPAM (IARC) | 1 |
Ractopamine | BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)METHYL)- | 1 |
Helium | HELIUM [WHO-DD] | 1 |
2-Fluoro-5-hydroxy-L-tyrosine | L-Tyrosine, 2-fluoro-5-hydroxy- | 1 |
Dihydroergotamine | Ergotamine, 9,10-dihydro- | 1 |
Trolnitrate phosphate | TROLNITRATE PHOSPHATE [MART.] | 1 |
2-Hydroxyethyl phosphate | 2-hydroxyethyl dihydrogen phosphate | 1 |
Triclocarban | DG BodyAntibacterial Deodorant 3.5 oz bar | 1 |
Carbon Disulfide | Dithioxomethane | 1 |
Cladribine | 6-amino-2-chloro-9-(2-deoxy-beta-D-erythro-pentofuranosyl)purine | 1 |
2-Chloro-p-phenylenediamine sulfate | 2-chlorobenzene-1,4-diamine;sulfuric acid | 1 |
2,4,6-Trinitrotoluene | 2,4,6-TRINITROTOLUENE | 1 |
Tedisamil | TEDISAMIL [WHO-DD] | 1 |
Meclizine Hydrochloride | Bonamine | 1 |
Iridium | Iridium, wire reel, 0.2m, diameter 1.0mm, as drawn, 99.9% | 1 |
Maprounic acid | 3-Hydroxyurs-12-en-29-oic acid | 1 |
Decahydronaphthalene | Decalin(R) | 1 |
Phenylpropanolamine | 1S,2R-PHENYLPROPANOLAMINE HYDROCHLORIDE | 1 |
Tridihexethyl bromide | 3-cyclohexyl-N,N,N-triethyl-3-hydroxy-3-phenylpropan-1-aminium bromide | 1 |
Edaravone | EDARAVONE [MART.] | 1 |
Tanshinone I | Tanshinone | 1 |
Dibucaine | Nupercainal | 1 |
alpha-Cotonefuran | 3,4,6-trimethoxydibenzo[b,d]furan-2,7-diol | 1 |
Isovalerylalanine | N-Isovalerylalanine | 1 |
Sodium Monofluorophosphate | Disodiummonofluorophosphate | 1 |
Laminine | Laminine | 1 |
Pyridoxal phosphate hydrate | 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde monohydrate | 1 |
Batyl alcohol | 3-(Octadecyloxy)-1,2-propanediol | 1 |
4-(Trifluoromethyl)phenol | 4-(trifluoromethyl)phenyl alcohol | 1 |
6-Methylmercaptopurine riboside | Purine-6-thiol, 6-methyl-9-ribofuranosyl- | 1 |
12alpha-Hydroxyprogesterone | 12.ALPHA.-HYDROXYPROGESTERONE | 1 |
(1S,2S)-1,2-dihydronaphthalene-1,2-diol | trans-1,2-Dihydronaphthalene-1,2-diol | 1 |
1,2,3,4,7,8,9-Heptachlorodibenzofuran | 1,2,3,4,7,8,9-HpCDF | 1 |
Sennoside B | (9R,9'S)-5,5'-bis(beta-D-glucopyranosyloxy)-4,4'-dihydroxy-10,10'-dioxo-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid | 1 |
Roxindole | roxindol | 1 |
(+)-8-epi-Altholactone | (+)-8-epi-Altholactone | 1 |
(Methylthio)acetic acid | 2-methylsulfanylacetic acid | 1 |
Phosmet | S-PHTHALIMIDOMETHYL O,O-DIMETHYL PHOSPHORODITHIOATE | 1 |
Paramethasone | Dillar | 1 |
5alpha-Androstan-2-en-17beta-ol | Androst-2-en-17-ol | 1 |
Triiodothyronine sulfate | 3,5,3'-Triiodo-L-thyronine 4'-O-sulphate | 1 |
gamma-Heptalactone | 5-propyldihydrofuran-2(3h)-one | 1 |
Sulfadiazine | Thi-Di-Mer | 1 |
Doramapimod | Doramapimod (USAN/INN) | 1 |
4'-Hydroxydiclofenac | Diclofenac-4-hydroxy | 1 |
Cyclobenzaprine | Ciclobenzaprina (INN-Spanish) | 1 |
Hexachlorobenzene | NO Bunt liquid | 1 |
Azelastine Hydrochloride | Azelastine Hydrochloride 1.0 mg/ml in Methanol (as free base) | 1 |
Glutathione | GLUTATHIONE [MART.] | 1 |
Antibiotic Bu 2545 | N-[2-methoxy-1-(3,4,5-trihydroxy-6-methylsulanyloxan-2-yl)propyl]-1-methylpyrrolidine-2-carboxamide | 1 |
17-Hydroxyandrost-4-en-3-one | 17-Hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one(testosterone) | 1 |
1-Hydroxyisoquinoline | InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11 | 1 |
Tantalum | Tantalum, foil, 0.5m coil, thickness 0.03mm, coil width 1.2mm, annealed, 99.9% | 1 |
D-Psicose | D-Psicopyranoside | 1 |
Dexetimide | (+)-Benzetimide | 1 |
3-O-Acetylpinobanksin | rac-Pinobanksin Acetate | 1 |
Doxylamine Succinate | DIMETHYLAMINOETHOXYMETHYLBENZYLPYRIDINE SUCCINATE | 1 |
Angiotensin IV | Angiotensin II (3-8), human | 1 |
Ciprofloxacin | CIPROFLOXACIN (USP-RS) | 1 |
N-Acetylhistamine | N-[2-(1H-Imidazol-4-yl)ethyl]acetamide # | 1 |
Hydralazine Hydrochloride | 1(2H)-Phthalazinone, hydrazone, hydrochloride | 1 |
Dibenzyl disulfide | Benzyl disulfide, 8CI | 1 |
Dimethylphenylpiperazinium | Piperazinium, 1,1-dimethyl-4-phenyl- | 1 |
Chromic acid | tetraoxochromic acid | 1 |
Lanthanum | La(2+) | 1 |
2-(Methylthio)ethanol | 2-(METHYLTHIO)ETHANOL [FHFI] | 1 |
1,3-Dinitroglycerin | 2-hydroxypropane-1,3-diyl dinitrate | 1 |
2H-Chromene | 1,2-Benzopyran | 1 |
Isotanshinone IIB | Isotanshinone IIB | 1 |
2-Hydroxypiperitone | 2-Hydroxypiperitone | 1 |
Tetracaine Hydrochloride | 2-(Dimethylamino)ethyl p-(butylamino)benzoate monohydrochloride | 1 |
4'-Hydroxyacetophenone | 4''-hydroxyacetophenone | 1 |
Sulfometuron-methyl | SULFOMETURON-METHYL [MI] | 1 |
Picric Acid | Pikrinsaeure [German] | 1 |
Phosphothiophosphoric acid-adenylate ester | Adenosine 5'-(trihydrogen diphosphate), P'-anhydride with phosphorothioic acid (9CI) | 1 |
Barium acetate | Octan barnaty [Czech] | 1 |
2-Aminotetradecanoic acid | 2-aminotetradecanoic acid | 1 |
Bombykol | LZT8R8TVZ7 | 1 |
n-(5-Aminopentyl)acetamide | Monoacetylcadaverine | 1 |
Gliquidone | ARDF-26 | 1 |
Ethylene Glycol | FC72KVT52F | 1 |
Cetraxate | Cetraxate [INN] | 1 |
Tramiprosate | 3-amino-1-propane sulfonic acid | 1 |
2,2',4,4',6,6'-Hexachlorobiphenyl | HEXACHLOROBIPHENYL, 2,4,6,2',4',6'- | 1 |
(2S)-2-Hydroxybutanedioic acid | (S)-Hydroxybutanedioate | 1 |
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PubChem Synonyms Pair Classification
This dataset consists of pairs of chemical entity names and their corresponding synonyms, with labels indicating whether they refer to the same entity. A label of 1 means the name and synonym correspond to the same chemical entity, while a label of 0 indicates they refer to different entities. The dataset is sourced from PubChem (ChEBI), providing a valuable resource for tasks involving synonym resolution and chemical entity matching.
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