Percepta: Drawing R‑group Structures in Percepta vs. ChemSketch

Description

• In Percepta, R‑groups are represented directly using the R1 label (for example, c1ccccc1[R1]).
• In ChemSketch, R1 is not recognized as a generic R‑group in SMILES. Instead, use an asterisk (*) as the placeholder.

Solution

For Percepta substituent sets:

• Enter SMILES using explicit R‑group notation, such as: c1ccccc1[R1]
• This will designate an R1 position in the structure, suitable for use in trainable libraries or as part of a substituent set.

For ChemSketch drawing:

• Use the asterisk (*) as the generic atom placeholder in SMILES, rather than R1: c1ccccc1[*]
• ChemSketch will interpret * as a generic attachment point.

When transferring structures between Percepta and ChemSketch:

• Be aware that SMILES with [R1] may not be properly recognized by ChemSketch.
• If editing or redrawing in ChemSketch, replace [R1] with [*] to ensure compatibility.