ToxAlerts: Alert substitution variablesThe list of variables you can use in your SMARTS patterns |
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ToxAlerts allows to substitute complex sub-patterns in SMARTS with simpler and
more interpretable variables. For example, instead of [CH1]([F,Cl,Br,I])([F,Cl,Br,I])[CH2][CH3] you could use [CH1]([$Hal])([$Hal])[CH2][CH3] Supported substitution variablesCurrently, the list of available variables is managed by the ToxAlerts moderation team. If you wish to suggest more variables, please feel free to drop us a message.
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