Table 1 Example SMARTS abbreviations and how they are interpreted by the code
Abbreviation | Interpretation |
|---|---|
{NM} | Non-metals less carbon (here He, B, N, O, F, Ne, Si, P, S, Cl, Ar, Ge, As, Se, Br, Kr, Sb, Te, I, Xe, Po, At) |
{M} | Metals (everything else) |
{Pn} | Pnictogens (here P, As, Sb) |
{Hal} | Halogens (here F, Cl, Br, I) |
{M_V6} | Metals with maximum valency 6 (Cr, Mo, W, Mn, Pt) |
{TM} | Transition metals |
{TM^Hg} | Transition metals apart from mercury (needed for FDA rules) |
{M_ + 1} | Metals with a charge of +1. |