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Deep clustering of small molecules at large-scale via variational autoencoder embedding and K-means
BACKGROUND: Converting molecules into computer-interpretable features with rich molecular information is a core problem of data-driven machine learning applications in chemical and drug-related tasks. Generally speaking, there are global and local features to represent a given molecule. As most algo...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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BioMed Central
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9011935/ https://www.ncbi.nlm.nih.gov/pubmed/35428173 http://dx.doi.org/10.1186/s12859-022-04667-1 |