Context-dependent similarity searching for small molecular fragments
Abstract Similarity searching is a mainstay in cheminformatics that is generally used to identify compounds with desired properties. For small molecular fragments, similarity calculations based on standard descriptors often have limited utility for establishing meaningful similarity relationships du...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-05-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-025-01032-1 |
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