| |
Equivalent atoms
|
Hydrogen atoms
|
Reaction centres
|
Maps all atoms
|
Maps R groups
|
Stereo-chemistry
|
Maps unbalanced reactions
|
|---|
|
RDT
|
\(\varvec{\chi }\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
|
DREAM
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
|
MWED
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
|
CLCA
|
\(\checkmark\)
|
\(\checkmark ^{\rm a}\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\checkmark\)
|
|
ICMAP
|
\(\varvec{\chi }\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
|
AutoMapper 5.0.1
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
\(\checkmark\)
|
\(\varvec{\chi }\)
|
\(\checkmark\)
|
-
\(^{\rm a}\) CLCA can only map hydrogen atoms for reactions with fully protonated molecules
