Audience

Medicinal chemists, cheminformaticians and data scientists in academia, pharmaceutical and biotech research who need to curate, standardize, and analyze molecular datasets with an intuitive no-code interface.

About alvaMolecule

alvaMolecule is a no-code cheminformatics tool for visualizing, curating, and standardizing molecular datasets before analysis. It supports common molecular formats (SMILES, SDF/MOL2) and lets users explore collections in grid or spreadsheet views, with automatic import of associated data. The software provides structure verification and standardization using predefined standardizers and custom SMIRKS rules, helps detect and manage duplicates, and offers scaffold analysis to summarize core frameworks.

Built-in filters and charting tools enable sorting by substructure, calculated molecular descriptors, and physicochemical properties. alvaMolecule calculates ~88 structural and physicochemical properties, including drug-like and lead-like scores such as LogP, TPSA, and the Lipinski alert index, helping prepare high-quality datasets for QSAR/QSPR modeling, descriptor calculation, and virtual screening workflows.

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Company Information

Alvascience
Founded: 2018
Italy
www.alvascience.com

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Product Details

Platforms Supported
Windows
Mac
Linux
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