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Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0
BACKGROUND: Network generation tools coupled with chemical reaction rules have been mainly developed for synthesis planning and more recently for metabolic engineering. Using the same core algorithm, these tools apply a set of rules to a source set of compounds, stopping when a sink set of compounds...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5736515/ https://www.ncbi.nlm.nih.gov/pubmed/29260340 http://dx.doi.org/10.1186/s13321-017-0252-9 |