AlvaDesc[1][2] is a commercial software application for the calculation and analysis of molecular descriptors, fingerprints, and structural patterns.

Developed by Alvascience, alvaDesc is used in cheminformatics and quantitative structure–activity relationship (QSAR) modeling to numerically describe molecular structures, aiding in chemical property prediction and machine learning applications.

[3][4] Molecular descriptors and fingerprints[5][6] serve as mathematical representations of chemical compounds, enabling computational models to predict properties such as bioactivity, toxicity, and solubility.

AlvaDesc supports the calculation of molecular descriptors and fingerprints across multiple categories: