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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6676618/ https://www.ncbi.nlm.nih.gov/pubmed/31372768 http://dx.doi.org/10.1186/s13321-019-0372-5 |