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Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges
Advanced mathematics, such as multiscale weighted colored subgraph and element specific persistent homology, and machine learning including deep neural networks were integrated to construct mathematical deep learning models for pose and binding affinity prediction and ranking in the last two D3R Gra...
Guardat en:
| Publicat a: | J Comput Aided Mol Des |
|---|---|
| Autors principals: | , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2018
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7163798/ https://ncbi.nlm.nih.gov/pubmed/30116918 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-018-0146-6 |
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