Hello,

One feature of SMARTS is vector binding that associates SMARTS pattern with a label and allows to create much more human-readable pattern, e.g.

Carbon with four connection and all aliphatic amines can be specified the following way

Csp3 [CX4]

PriAmin [N;H2;X3][\\\$Csp3]

SecAmin [N;H;X3]([\\\$Csp3])[\\\$Csp3]

TerAmin [NX3]([\\\$Csp3])([\\\$Csp3])[\\\$Csp3]

AllAmin [\\\$PriAmin,\\\$SecAmin,\\\$TerAmin]

In which form is that supported in Pipeline Pilot?

Can someone give me an example protocol?

Cheers,

Torsten