Back to Home

Help Center

Quick links to the four main operation manuals for ChemWeb (JSME + RDKit).

1) JSME Tutorial

Step-by-step drawing tutorial (acetic acid example) that shows how to build a structure in JSME and then use Show SMILES + Analyze (RDKit) to obtain names/properties and 2D/3D outputs.

2) 3D Conformer Tutorial

2-butanol case study explaining the difference between conformer and configuration, how to view multiple 3D conformers, and how stereocenter orientation in 3D matches SMILES chirality marks (@ / @@).

3) Vitamin C Stereochemistry Tutorial

Vitamin C example showing manual SMILES input, compound lookup, 2D/3D display, atom labeling, and detailed interpretation of two chiral centers with ring-closure numbering in SMILES.

4) User Manual - ChemWeb (JSME + RDKit)

A comprehensive guide to JSME toolbar usage, SMILES input, the RDKit analysis workflow, returned compound information, 2D/3D visualization, conformer navigation, and stereocenter labeling.