Cargando…
Reconstruction of lossless molecular representations from fingerprints
The simplified molecular-input line-entry system (SMILES) is the most prevalent molecular representation used in AI-based chemical applications. However, there are innate limitations associated with the internal structure of SMILES representations. In this context, this study exploits the resolution...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2023
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9948316/ https://www.ncbi.nlm.nih.gov/pubmed/36823647 http://dx.doi.org/10.1186/s13321-023-00693-0 |