alvaDesc is a cheminformatics software for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns for QSAR, QSPR, read-across, and machine learning applications. It computes more than 5,000 molecular descriptors (0Dā3D), including constitutional, topological, geometrical, electronic, physicochemical, and fragment-based descriptors.
The software also generates molecular fingerprints and structural pattern counts for similarity analysis, clustering, and classification. ...