Investigation of the structure-odor relationship using a Transformer model
Abstract The relationships between molecular structures and their properties are subtle and complex, and the properties of odor are no exception. Molecules with similar structures, such as a molecule and its optical isomer, may have completely different odors, whereas molecules with completely disti...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2022-12-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-022-00671-y |