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Persistent spectral–based machine learning (PerSpect ML) for protein-ligand binding affinity prediction
Molecular descriptors are essential to not only quantitative structure-activity relationship (QSAR) models but also machine learning–based material, chemical, and biological data analysis. Here, we propose persistent spectral–based machine learning (PerSpect ML) models for drug design. Different fro...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Association for the Advancement of Science
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8104863/ https://www.ncbi.nlm.nih.gov/pubmed/33962954 http://dx.doi.org/10.1126/sciadv.abc5329 |