Documentation

You can find more information in the following tutorials:

• Using the SMILES Manager,
• Perform Positional Analogue Scanning using the SMILES Manager Extension.

Below is a very brief overview of some of the main functionalities.

Import SMILES

This extension allows you to directly import SMILES from a file:

Create SMILES

You can also create SMILES code from scratch:

Generate 2D depictions from SMILES

2D conformation of each code is generated on the fly. PNG or SVG images of these 2D conformations can be saved at any time:

Filter SMILES

Filter SMILES with a pattern using a few clicks using the powerful search engine:

Convert SMILES to 3D structures

SMILES can be easily converted to SAMSON structures by selecting them: