Sentence examples for line notation from inspiring English sources

A line notation for entering and representing molecules and reactions; for example, carbon dioxide is represented as O = C = O.

The Sybyl Line Notation (SLN) [8] can also be used to represent chemical reactions in a line notation.

The SMILES format is the most popular line notation in use today.

It is a line notation to describe subgraph patterns similar to SMARTS.

Conversion to line notation from connection tables does, however, incur some information loss [16].

A substructure graph can be formulated by using a substructure pattern language like SMILES Arbitrary Target Specification (SMARTS) [25], Sybyl Line Notation (SLN) [26] or Wiswesser Line Notation (WLN) [27].

While line notations typically do not allow the incorporation of additional information beyond the connection table and its associated chemistry (with the notable exception of SYBYL Line Notation [2, 3]), even where the underlying data is stored in a 2D or 3D file format as in several web databases (for example, PubChem [4]), linear representations of the data are usually provided for convenience.

Line notations are linear representations of chemical structures that encode the connection table and (usually) the stereochemistry of a molecule as a line of text [1].

There are two line notations of chemical structures that have established themselves in the field: the SMILES string and the InChI string.

The canonical labels obtained from the InChI could also be used for the generation of canonical forms of other file formats, in particular for other line notations.

SMILES [1] and SMARTS [2] are two line notations developed by Daylight and implemented in a number of chemical informatics software tools.