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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...
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| Vydáno v: | J Cheminform |
|---|---|
| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Springer International Publishing
2021
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8254276/ https://ncbi.nlm.nih.gov/pubmed/34217353 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-021-00529-9 |
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