Cargando…
MAYGEN: an open-source chemical structure generator for constitutional isomers based on the orderly generation principle
The generation of constitutional isomer chemical spaces has been a subject of cheminformatics since the early 1960s, with applications in structure elucidation and elsewhere. In order to perform such a generation efficiently, exhaustively and isomorphism-free, the structure generator needs to ensure...
| Autores principales: | , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2021
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8254276/ https://www.ncbi.nlm.nih.gov/pubmed/34217353 http://dx.doi.org/10.1186/s13321-021-00529-9 |