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SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
Simplified Particle Input ConnEction Specification (SPICES) is a particle-based molecular structure representation derived from straightforward simplifications of the atom-based SMILES line notation. It aims at supporting tedious and error-prone molecular structure definitions for particle-based mes...
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| Опубликовано в: : | J Cheminform |
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| Главные авторы: | , , , , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Springer International Publishing
2018
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| Предметы: | |
| Online-ссылка: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6085218/ https://ncbi.nlm.nih.gov/pubmed/30094683 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-018-0294-7 |
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