Daylight Summer School 2000, June 7-9, Santa Fe, NM
SMILES History
The motivation for SMILES is the desire to come up with a chemical representation that would not take up a lot of "space".
SMILES reprsentation for methane -
C
Typical connection table representations take up more bytes. e.g. MDL mol file reprsentation for methane -
-CPSS- 0606911105 1 0 0 0 0 0 0 0 0 0 0 -4.5200 2.8100 0.0000 C 0 0 0 0 0 0 0 0
Three publications exist on SMILES
The first,published in 1988 explains the encoding rules.
abstract
The second published in 1989 explains the uniqification rules.
abstract
The third published in 1990 explains the rules for depictions.
abstract
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