Dataset Open Access
ChemTastesDB: A Curated Database of Molecular Tastants
Rojas, Cristian;
Ballabio, Davide;
Pacheco Sarmiento, Karen;
Pacheco Jaramillo, Elisa;
Mendoza, Mateo;
García, Fernando
ChemTastesDB is a database that includes curated information of 2944 molecular tastants. ChemTastesDB constitutes a useful tool for the scientific community to expand the information of molecular tastants, which could assist in the analysis of the relationships between molecular structure and taste, as well as in silico (QSAR) studies for taste prediction by means of diverse machine learning approaches.
Molecules are sequestered to one of the five basic tastes (sweet, bitter, umami sour and salty), as well as to other non-basic classes such as: tasteless, non-sweet, multitaste and miscellaneous. ChemTastesDB provides the following information for each molecule: name, PubChem CID, CAS registry number, canonical SMILES string, class taste and the reference to the scientific sources from where data were retrieved. Moreover, the molecular structure in the HyperChem (.hin) format of each chemical is provided.
| Name | Size | |
|---|---|---|
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ChemTastesDB.rar
md5:b0eaa47358a8d199082603d298d4d816 |
3.7 MB | Download |
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ChemTastesDB_database.xlsx
md5:a7ff0f8f0982b60947e2ef91f7a8d4f7 |
274.7 kB | Download |
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ChemTastesDB_readme.pdf
md5:7a66bdef5791576ebbbd5584b18c3dd9 |
128.3 kB | Download |
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ChemTastesDB_references.xlsx
md5:dfbcc673d95ededea18add35728e6081 |
17.5 kB | Download |
| All versions | This version | |
|---|---|---|
| Views | 1,766 | 1,502 |
| Downloads | 1,590 | 1,306 |
| Data volume | 1.0 GB | 865.5 MB |
| Unique views | 1,535 | 1,386 |
| Unique downloads | 801 | 712 |
- Publication date:
- December 1, 2021
- DOI:
-
- Keyword(s):
- ChemTastesDB database tastes chemical space
- License (for files):
- Creative Commons Attribution 4.0 International