PhysChem Suite
Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure.
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alvaDesc
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 (0D–3D), 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. Integrated tools support descriptor filtering and correlation analysis for robust and reproducible modeling.
alvaDesc integrates seamlessly with KNIME and Python, enabling efficient connection to external data analysis and machine learning workflows. It is widely used in academic and industrial research and supported by extensive documentation and scientific publications.
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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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Muun
Export an Emergency Kit with your private keys and output descriptors. Designed to fit complex scripts such as multisig, lightning and taproot. Create a back-up to safely access your wallet if you change your phone. Use a randomly-generated code written on paper. Use your email, password and recovery code. Your Emergency Kit has both keys, but your phone just one. Your money is safe. Two keys are needed to spend it and only one is in your phone. Lock your wallet until you get a new phone and recover your funds. Fully self-custodial: Muun is a self-custodial wallet meaning you are in total control of your bitcoin. Nobody, not even Muun, can access your money. Export an Emergency Kit with your private keys and output descriptors, intended to be used in a scenario where Muun is unavailable. The Kit was designed to fit bitcoin's latest scripts, including multisig, lightning and taproot.
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