Topic
Line notation
About: Line notation is a research topic. Over the lifetime, 68 publications have been published within this topic receiving 1566 citations.
Papers published on a yearly basis
Papers
TL;DR: The chemical notation language SMILES is designed for the conversion of an arbitrarily chosen description of a chemical structure to one unique notation in a two-stage algorithm, CANGEN, where each atom is canonically ordered and labeled.
Abstract: The chemical notation language SMILES is designed for the conversion of an arbitrarily chosen description of a chemical structure to one unique notation. This is accomplished in a two-stage algorithm, CANGEN. The first stage involves CANonicalization of structure, whereby the molecule is treated as a graph with nodes (atoms) and edges (bonds). Each atom is canonically ordered and labeled. In the second stage, starting with the lowest labeled atom, a molecular graph is GENerated, which is the unique SMILES structure.
1,281 citations
TL;DR: A new representation system that is capable of handling the stochastic nature of polymers and based on the popular “simplified molecular-input line-entry system” (SMILES) is proposed, and it aims to provide representations that can be used as indexing identifiers for entries in polymer databases.
Abstract: Having a compact yet robust structurally based identifier or representation system is a key enabling factor for efficient sharing and dissemination of research results within the chemistry communit...
229 citations
1 Jan 1987
121 citations
TL;DR: SLN is an ASCII language used to represent chemical structures, including common organic molecules, macromolecules, polymers, and combinatorial libraries.
Abstract: SYBYL Line Notation (SLN) is an ASCII language used to represent chemical structures, including common organic molecules, macromolecules, polymers, and combinatorial libraries. SLN is also used to express substructural (2D) queries and includes a complete facility for Markush representation. This concise language is ideal for database storage of chemical entities as well as for network communication of structures and queries.
96 citations
93 citations
Related Topics (5)
Performance Metrics
| Year | Papers |
|---|---|
| 2021 | 2 |
| 2019 | 1 |
| 2018 | 2 |
| 2017 | 1 |
| 2014 | 1 |
| 2013 | 3 |