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Fast, efficient fragment-based coordinate generation for Open Babel
Rapidly predicting an accurate three dimensional geometry of a molecule is a crucial task for cheminformatics and across a wide range of molecular modeling. Consequently, developing a fast, accurate, and open implementation of structure prediction is necessary for reproducible cheminformatics resear...
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| Publicado no: | J Cheminform |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6676618/ https://ncbi.nlm.nih.gov/pubmed/31372768 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-019-0372-5 |
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