DBsimilarity of Natural Products to aid compound identification on MS and NMR pipelines, similarity networking and more

DBsimilarity is proposed for organizing structure databases into Similarity Networks to assist researchers with analyzing and making sense of chemical data available. It converts SDF files into CSV files when needed, adds chemoinformatics data, constructs a MZMine custom database file and a NMRfilter candidate list of compounds for rapid dereplication of MS and 2D NMR data, calculates similarities, and constructs CSV files for Similarity Networks using Cytoscape. DBsimilarity aims to bridge chemoinformatics to laboratory-focused natural products researchers and students.