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).