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Splitting chemical structure data sets for federated privacy-preserving machine learning
With the increase in applications of machine learning methods in drug design and related fields, the challenge of designing sound test sets becomes more and more prominent. The goal of this challenge is to have a realistic split of chemical structures (compounds) between training, validation and tes...
| Autores principales: | , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8650276/ https://www.ncbi.nlm.nih.gov/pubmed/34876230 http://dx.doi.org/10.1186/s13321-021-00576-2 |