Build Library

DesMol2 builds libraries of molecules combining one or more bases with different substituents. The result is a .smi file with all the possible combinations. You've to introduce SMILES code in all the molecular fragments.

Bases

You can enter one or more bases but all of them must have the same number of anchor points (at least one).  Anchor points are represented with an R followed by a number from 0 to 9 an between square brackets. Example: [R2]