SPICES: a particle-based molecular structure line notation and support library for mesoscopic simula...
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
About this item
Full title
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Publisher
Cham: Springer International Publishing
Journal title
Language
English
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Publication information
Publisher
Cham: Springer International Publishing
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Scope and Contents
Contents
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 mesoscopic simulation techniques like Dissipative Par...
Alternative Titles
Full title
SPICES: a particle-based molecular structure line notation and support library for mesoscopic simulation
Authors, Artists and Contributors
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Primary Identifiers
Record Identifier
TN_cdi_doaj_primary_oai_doaj_org_article_47841760306748499d44ab6e520ef35b
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_47841760306748499d44ab6e520ef35b
Other Identifiers
ISSN
1758-2946
E-ISSN
1758-2946
DOI
10.1186/s13321-018-0294-7
