Cycle-configuration descriptors: a novel graph-theoretic approach to enhancing molecular inference
Abstract Inference of molecules with desired activities/properties is one of the key and challenging issues in cheminformatics and bioinformatics. For that purpose, our research group has recently developed a state-of-the-art framework mol-infer for molecular inference. This framework first construc...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2025-08-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-025-01042-z |
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