alvaMolecule software a product of the alvascience company with crack and license that visualise, analyse, curate and standardize your molecular dataset. A New Software Suite for the QSAR Workflow Applied to the Blood–Brain Barrier Permeability.
alvaMolecule is conceived as a molecular worksheet where molecular datasets can be visualised both as a molecule grid or as a spreadsheet; additional data provided within SMILES and MDL files is automatically imported and can be used, together with the calculated descriptors and physicochemical properties, to sort and filter the molecular dataset.
Molecule structure curation
alvaMolecule provides 10 predefined checkers that can help the identification of erroneous structure or for filtering specific structural features:
Molecule structure standardization
alvaMolecule provides 16 predefined standardizers that can be used to fix erroneous representation of molecules, to remove specific features from molecules or to standardize specific structural features:
Alvascience alvaMolecule software details: