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Representability of algebraic topology for biomolecules in machine learning based scoring and virtual screening
This work introduces a number of algebraic topology approaches, including multi-component persistent homology, multi-level persistent homology, and electrostatic persistence for the representation, characterization, and description of small molecules and biomolecular complexes. In contrast to the co...
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| Publicat a: | PLoS Comput Biol |
|---|---|
| Autors principals: | , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Public Library of Science
2018
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5774846/ https://ncbi.nlm.nih.gov/pubmed/29309403 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pcbi.1005929 |
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