DataWarrior
Free software around molecules – data visualization and analysis with chemical intellgence
DataWarrior is an open-source data visualization and analysis program with embedded chemical intelligence. It is developed in Java and runs on all operating systems for which a Java runtime environment exists. The software includes features for interactive data visualization, real-time data filtering, prediction of molecular properties, and dedicated cheminformatics modules to support drug discovery. It can read and write native text-based file formats, import TAB delimited txt, csv, sdf, and interpret SMILES codes. DataWarrior offers various views including table view, 2D scatter plots, 3D scatter plots, chemical structure view, and form-based view. It supports multiple filter types, data analysis capabilities like PCA, t-SNE, UMAP, and cheminformatics functions such as substructure filtering, similarity searching, and machine learning. The software also provides access to databases like Wikipedia, ChEMBL, Enamine, and the Crystallography Open Database.
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