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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...
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| Gepubliceerd in: | J Cheminform |
|---|---|
| Hoofdauteurs: | , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Springer International Publishing
2017
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5736515/ https://ncbi.nlm.nih.gov/pubmed/29260340 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0252-9 |
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