inSilicoTools – MolBase

istMolBase is a standalone application (developed in Java) for visualizing and managing a dataset of molecules. The application is based on the open source libraries from the VEGA platform, and it provides an easy-to-use graphical interface.

istMolBase provides the following features:

  • Reading of SMILES and SDF files.
  • Normalization of the molecules to SMILES strings following the VEGA standard.
  • Structure depiction.
  • SMARTS matching.

istMolBase can be useful to normalize molecular structures with a single standard, obtaining a unique way of perceiving aromaticity, representing certain molecular features (like nitro groups) etc. Furthermore, this application provides a quick way to perform matching of multiple SMARTS strings against a dataset.

The application is released under a Creative Commons license: istMolBase can be freely downloaded, used and shared only for non-commercial purposes. Please contact us if you need to use it for different purposes. The application can be freely downloaded from your private area (registration required).

Software Type
Standalone application
It works on all system supporting Java. Java version 7 or higher required
Creative Commons -
How To Get It
Free download (registration required) from your private area