|
A miscellaneous interest annotation is indicated by a two-character
miscellaneous interest annotation marker
(MIAM). MIAM annotations can be used to
enhance molecule and material encodings by various details. MIAMS
and their purpose are given in the following table.
| MIAM |
Meaning and usage |
| __ |
blank marker
(“double underscore”),
used to indicate that any additional information is
directly given in the annotation dictionary (for example,
see notation enhancement by
name, acronym and code)
|
| AD |
adsorption or adlayer:
description of the adsorption of a molecule to a
surface; note that covalent bonding (grafting) to as well as
atom-specific interaction with a material
surface is encoded with an annotation marked by
-| or ~|, respectively
|
| AN |
anchoring or grafting:
description of attachment to a solid material
|
| CH |
charge information
applying to the overall structure
|
| CT |
coating information
applying to solid materials
|
| EX |
extracted
applying to a chemical species extracted from a material
by an extracting agent
|
| IM |
impurity, dopant
or embedded substance contained in annotated
structure |
| MO |
modification
applying to annotated material
|
| SD |
stereodescription: stereochemical details other than those
provided with the stereodescriptive annotations
D, E,
L, R,
S, and Z,
for example, distinction between helical enantiomers
|
| SP |
spin-of-proton description,
typically used in combination with a
isp dictionary entry
|
| VA |
vacancy,
vacant lattice site in crystal (see
CurlySMILES encoding of vacant lattice sites)
|
| @* |
enclosure by a bulk material or matrix
(inverse of IM, switching focus from
the bulk to the impurity or dopant)
|
| @= |
intercalated in a host matrix or between (supra-)molecules
|
| @: |
enclosure by a polyhedral molecule (cage molecule) as, for example,
one or more atoms in a fullerene (endohedral fullerenes)
|
| || |
solid-solid interface or contact
|
| :: |
fluid-fluid interface or contact
|
| |: |
solid-fluid interface or contact
|
| :| |
fluid-solid interface or contact
|
|
Reference
|
A. Drefahl:
CurlySMILES: a chemical language
to customize and annotate encodings of molecular and
nanodevice structures
.
J. Cheminf.
2011, 3:1;
doi:
10.1186/1758-2946-3-1
.
|
|
|
