Often ligand sets are provided with a generic name for all compounds, followed by a unique number. In many cases, the numbering appears random, and does not follow the order of decreasing or increasing activities (i.e., Compound3, Compound42, Compound2). For 3D QSAR Pharmacophore Modeling (HypoGen), it is preferable to have the compounds numbered in order of decreasing activity (i.e, Compound1, Compound2, Compound3) where Compound1 is the most active and Compound3 the least active of the three.
This protocol will rename the ligands as Compound1, Compound2, Compound3, etc.
How to use:
(1) Download the attachment and unzip it. It consists of the protocol and a sample .sd file.
(2) Open Discovery Studio 2.0 client
(3) In the protocol explorer panel, right click at your
(4) Double click on the protocol to open its parameter explorer.
